2025-08-31T09:24:13,011 Created temporary directory: /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:13,012 Initialized build tracking at /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:13,013 Created build tracker: /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:13,013 Entered build tracker: /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:13,014 Created temporary directory: /tmp/pip-wheel-gnlx9zaa
2025-08-31T09:24:13,018 Created temporary directory: /tmp/pip-ephem-wheel-cache-9il4vm1m
2025-08-31T09:24:13,068 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-08-31T09:24:13,070 2 location(s) to search for versions of xcbm:
2025-08-31T09:24:13,070 * https://pypi.org/simple/xcbm/
2025-08-31T09:24:13,070 * https://www.piwheels.org/simple/xcbm/
2025-08-31T09:24:13,071 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/
2025-08-31T09:24:13,072 Getting page https://pypi.org/simple/xcbm/
2025-08-31T09:24:13,073 Found index url https://pypi.org/simple/
2025-08-31T09:24:13,359 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json
2025-08-31T09:24:13,364   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/0c/54/89adfcaaf3b7a1ac70f6e68ab96a621fc3c7aee0ce083a77c74955ab8566/xcbm-0.1.0-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,366   Found link https://files.pythonhosted.org/packages/17/bb/ec53cba0bfd70b6e53a4004698bc6664c843d83ee4752c92742c2c280c56/xcbm-0.1.0.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.0
2025-08-31T09:24:13,367   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/1e/8c/a22b89844c32206483b3eadd8aefcab23dfc936baf5928dc32c2134c37e9/xcbm-0.1.1-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,367   Found link https://files.pythonhosted.org/packages/d9/68/8ce03bc5c7b5917a1cc4f975efe45f6523310b8f5caeedbb959bb3af328a/xcbm-0.1.1.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.1
2025-08-31T09:24:13,369   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/76/1d/81c32ff3b0b9a49347a301be996c41d8b25825a9b87ecccec1e347c406c2/xcbm-0.1.2-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,370   Found link https://files.pythonhosted.org/packages/85/b6/121aaa049f5903cafd5f972ffe6381d271044f15c2960f03d37bcfc4b0d4/xcbm-0.1.2.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.2
2025-08-31T09:24:13,371   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/38/4b/995733900be1699a2a2154d0af259a85baf788186b3d557b0203723efdd2/xcbm-0.1.3-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,372   Found link https://files.pythonhosted.org/packages/de/cc/c8df8c89d17143a3deb8acc78ffdfd5314f929265ffc9f7341be143b9594/xcbm-0.1.3.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.3
2025-08-31T09:24:13,373   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/c0/5c/2cf2d5d79cb8672385cc2ed32819d650ddb54ac3e67838d0e7e2027904e6/xcbm-0.1.4-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,374   Found link https://files.pythonhosted.org/packages/4a/bc/2a911fe4b28e72d26eb1de60dee377d1b13aa203628c6a635d386f7c9924/xcbm-0.1.4.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.4
2025-08-31T09:24:13,374   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/ba/60/0a7d06cfdb177b10664db3f4c3acfcd725580566dec6d9d4561d110736a0/xcbm-0.1.5-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,375   Found link https://files.pythonhosted.org/packages/bc/9d/4c6aba01828b0d700194dc90082f168d8553d8282d74eaff432dc5e2c2e6/xcbm-0.1.5.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.5
2025-08-31T09:24:13,376   Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/bb/c8/740c3edc412f87ab8ddcc82b03f3db86486fb6ae7b4866534b3c4f15662a/xcbm-0.1.6-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,377   Found link https://files.pythonhosted.org/packages/bf/ea/9290eababf634ccaaf3849ebcfefacca30c9eade9ee76d0d7f80dfa89f62/xcbm-0.1.6.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.6
2025-08-31T09:24:13,378 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/
2025-08-31T09:24:13,379 Getting page https://www.piwheels.org/simple/xcbm/
2025-08-31T09:24:13,381 Found index url https://www.piwheels.org/simple/
2025-08-31T09:24:13,553 Fetched page https://www.piwheels.org/simple/xcbm/ as text/html
2025-08-31T09:24:13,556   Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.3-py3-none-any.whl#sha256=fc412e62b12fae4c046cb0fe235cd4c1813cadefbce4d2b2f4c6db2d2962b8e8 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,557   Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.2-py3-none-any.whl#sha256=11f20d12f9aeb850e0bebb77b3fe04103c418f5dffcf4600daa7ef5b2862068f (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,557   Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.1-py3-none-any.whl#sha256=409ed2e212d3ef575a4b9939661dffea24cb12a27f7b032379300969c743e134 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,558   Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.0-py3-none-any.whl#sha256=fc89f80e6e574f7a5a8832ab10d617e13e78710ce58357f17ce5aeae3910942d (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9)
2025-08-31T09:24:13,558 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/
2025-08-31T09:24:13,559 Skipping link: not a file: https://pypi.org/simple/xcbm/
2025-08-31T09:24:13,581 Given no hashes to check 1 links for project 'xcbm': discarding no candidates
2025-08-31T09:24:13,583 Collecting xcbm==0.1.4
2025-08-31T09:24:13,586   Created temporary directory: /tmp/pip-unpack-trz2ccxj
2025-08-31T09:24:13,822   Downloading xcbm-0.1.4.tar.gz (4.1 MB)
2025-08-31T09:24:55,094   Added xcbm==0.1.4 from https://files.pythonhosted.org/packages/4a/bc/2a911fe4b28e72d26eb1de60dee377d1b13aa203628c6a635d386f7c9924/xcbm-0.1.4.tar.gz to build tracker '/tmp/pip-build-tracker-yl27qnxx'
2025-08-31T09:24:55,098   Created temporary directory: /tmp/pip-build-env-1cu8cxwx
2025-08-31T09:24:55,103   Installing build dependencies: started
2025-08-31T09:24:55,104   Running command pip subprocess to install build dependencies
2025-08-31T09:24:56,330   Using pip 25.2 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11)
2025-08-31T09:24:56,330   Non-user install by explicit request
2025-08-31T09:24:56,802   Created build tracker: /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:56,803   Entered build tracker: /tmp/pip-build-tracker-yl27qnxx
2025-08-31T09:24:56,806   Created temporary directory: /tmp/pip-install-5vlh17ee
2025-08-31T09:24:56,811   Created temporary directory: /tmp/pip-ephem-wheel-cache-a5tldsgr
2025-08-31T09:24:56,864   Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-08-31T09:24:56,867   2 location(s) to search for versions of setuptools:
2025-08-31T09:24:56,867   * https://pypi.org/simple/setuptools/
2025-08-31T09:24:56,868   * https://www.piwheels.org/simple/setuptools/
2025-08-31T09:24:56,868   Fetching project page and analyzing links: https://pypi.org/simple/setuptools/
2025-08-31T09:24:56,869   Getting page https://pypi.org/simple/setuptools/
2025-08-31T09:24:56,871   Found index url https://pypi.org/simple/
2025-08-31T09:24:56,873   Looking up "https://pypi.org/simple/setuptools/" in the cache
2025-08-31T09:24:56,874   Request header has "max_age" as 0, cache bypassed
2025-08-31T09:24:56,879   Starting new HTTPS connection (1): pypi.org:443
2025-08-31T09:24:57,024   https://pypi.org:443 "GET /simple/setuptools/ HTTP/1.1" 304 0
2025-08-31T09:24:57,045   Fetched page https://pypi.org/simple/setuptools/ as application/vnd.pypi.simple.v1+json
2025-08-31T09:24:57,202     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/77/38/90cae8fd99c5dc402d25930e1c91f5fcf6de5c8e982fd152a5a061e3df56/setuptools-0.6b1-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,203     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/1f/ab/1ed6131b5112d1d47cb89e1cbea08f783f0ed49d6fc795ed2ff63f84d20c/setuptools-0.6b1-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,204     Found link https://files.pythonhosted.org/packages/82/cb/906d051fdf1c8b7703d288d3cc44ff32746090378f7f8539c8476a21ce9a/setuptools-0.6b1.zip (from https://pypi.org/simple/setuptools/), version: 0.6b1
2025-08-31T09:24:57,205     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/61/52/c84d22f3669ea8d4e54126f6241d7ed9828e3a382596f170043dfdaddbcc/setuptools-0.6b2-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,205     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/9b/87/48c155a10c4561fe9b8a83dcf9361ddb9cc9ab5c3ed1b504ac12ab11ed6a/setuptools-0.6b2-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,206     Found link https://files.pythonhosted.org/packages/0e/3b/53daeaf6623a2bab3d3c40b19a35ff5bd7c4e1fbad2f537a61c1fe8c5069/setuptools-0.6b2.zip (from https://pypi.org/simple/setuptools/), version: 0.6b2
2025-08-31T09:24:57,207     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/c3/13/a3129905c118a7004e4bbc6db2c24d73de9e15960fd749a61e16fb114f30/setuptools-0.6b3-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,208     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/10/b3/7166e400d3b953fa4714f97806f077a3f7791cd48ea71df708814234283a/setuptools-0.6b3-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,209     Found link https://files.pythonhosted.org/packages/ff/33/635de67bf3010651ba8db9d8064721274bfb6fbb778a110089f34beabaf2/setuptools-0.6b3.zip (from https://pypi.org/simple/setuptools/), version: 0.6b3
2025-08-31T09:24:57,210     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/1c/d7/6927233caddaa4f466a8b957c94be00810e751edb2655283c04fc3b680f2/setuptools-0.6b4-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,210     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/b3/79/8c94b6c99192df5f5d900ce17405cb5cfcdab8643d2e4aaf6ce1ee948576/setuptools-0.6b4-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,211     Found link https://files.pythonhosted.org/packages/82/be/b2e51157a4debc4ebcab179aeb839948a0f02ce06cbc7749c8ab866c0aa9/setuptools-0.6b4.zip (from https://pypi.org/simple/setuptools/), version: 0.6b4
2025-08-31T09:24:57,212     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/54/f7/6f443db0df0a1706d8af3a8fa7d18528e5557f588cbddce7f7b47ff08ba5/setuptools-0.6c1-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,213     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/59/61/1ab6a87cec11ffb403280338aacc2c7a1e44eff0d7e431076fba1e61895e/setuptools-0.6c1-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,214     Found link https://files.pythonhosted.org/packages/4e/2d/555dc3106b42c977a2f7c7e6f28e5b3104c9bd9306005d304d2ddc1c6587/setuptools-0.6c1.zip (from https://pypi.org/simple/setuptools/), version: 0.6c1
2025-08-31T09:24:57,215     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/24/01/51f2d3ede491f51990b99ab0bfc5bad473c9b45fcf9b1c7b8c7bc3ff0e14/setuptools-0.6c2-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,215     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/64/c4/cb2718f8851517aba754c4f25d79f2a65430d4a4979375d78ea51f217123/setuptools-0.6c2-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,217     Found link https://files.pythonhosted.org/packages/e3/dd/5ccc0dd99d67675bda31bfb1e5be1460f908b9e3e475660bdcb98aea5f36/setuptools-0.6c2.zip (from https://pypi.org/simple/setuptools/), version: 0.6c2
2025-08-31T09:24:57,217     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/21/56/b48e6f7fa5a58e87a3b0761af2bedf2a6668c553ab4c39ee2646ef9597f7/setuptools-0.6c3-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,218     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/73/0d/239e2877d84df3231b5da63ff7358871f66eeab89458574247ebe7c427c7/setuptools-0.6c3-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,219     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/20/22/7e414402a50a263f15d1d7f0a469ba63aa1f2fb79e653a64732b3b18af48/setuptools-0.6c3-py2.5.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,220     Found link https://files.pythonhosted.org/packages/01/21/d4c5b856d702d0c6e3a615061d0b6e7101c375ceb664126583de863b4181/setuptools-0.6c3.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-08-31T09:24:57,220     Found link https://files.pythonhosted.org/packages/69/d7/a22dd38ff4811beaaa7089825dc38a34f47818f25c7025b1caab4e67b54b/setuptools-0.6c3.zip (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-08-31T09:24:57,221     Skipping link: unsupported archive format: .rpm: https://files.pythonhosted.org/packages/4b/02/33240ac22d7dc895c5d18119a7a4b7b97ca45f7436c2633840287c2c7a4e/setuptools-0.6c4-1.src.rpm (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,222     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/35/b8/00453469271120ea64d3c4da218dd83565f5b1d3e848371c13afa43bb58c/setuptools-0.6c4-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,223     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/00/5c/53f6b2cbe1f8344695eeb166e1906d573146fcb9f9f9ad116b7c4cf907ca/setuptools-0.6c4-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,224     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/ad/67/6764874b7091d4b5902de113b30ffc40713c3176908177c53c0ae3129fb9/setuptools-0.6c4-py2.5.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,224     Found link https://files.pythonhosted.org/packages/73/57/a910b32ea2131b5d8f7a2ff106e5a1c47b0cad4baed171ca12ffa5613c39/setuptools-0.6c4.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-08-31T09:24:57,225     Skipping link: unsupported archive format: .exe: https://files.pythonhosted.org/packages/f4/d2/2be204269d952f712b433e9c27dc76b54dd2c3fcc38a085b561614d4a0bd/setuptools-0.6c4.win32-py2.3.exe (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,226     Skipping link: unsupported archive format: .exe: https://files.pythonhosted.org/packages/3f/ee/f64f590be21ae82c6de485751596c540c24b218804fe19c1a936109bfec5/setuptools-0.6c4.win32-py2.4.exe (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,227     Skipping link: unsupported archive format: .exe: https://files.pythonhosted.org/packages/b3/ee/650a6df344eb5cba091c2729764f44c7fa9309f2421c9518c8509a0b76f8/setuptools-0.6c4.win32-py2.5.exe (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,228     Found link https://files.pythonhosted.org/packages/7e/2d/926f4536e819fa93d7a4aeb0910849387c1234b865310aee40289e457012/setuptools-0.6c4.zip (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-08-31T09:24:57,229     Skipping link: unsupported archive format: .rpm: https://files.pythonhosted.org/packages/c1/11/efc7f5f5d5d0d7b77030753469ab3173b41d7e92de9de9c384f0f9a3e95d/setuptools-0.6c5-1.src.rpm (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,229     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/b9/32/3797469c91a78e329cb2f73bedddd3a70cf688a91f484f35f65553ae853f/setuptools-0.6c5-py2.3.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,230     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/e9/24/31abf427add2d867e16164ac0215f079f8d2a9a3f5fe9153906425b94fc2/setuptools-0.6c5-py2.4.egg (from https://pypi.org/simple/setuptools/)
2025-08-31T09:24:57,231     Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/73/df/f68a5c3acd5e7f813d56cd147d713720ceb4ef7a2064c927c9d77fba2d61/setuptools-0.6c5-py2.5.egg (from https://pypi.org/simple/setuptools/)
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2025-08-31T09:24:59,610     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-0.9.8-py2.py3-none-any.whl#sha256=bf8e39b012d0146a4aeaf541353f5b9b9630bbcb5ac27505849ac896bcff2f6a (from https://www.piwheels.org/simple/setuptools/), version: 0.9.8
2025-08-31T09:24:59,610     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-0.9.7-py3-none-any.whl#sha256=f6b58d0a10e855fb85432c9cc51cab71af61ecc772387e0bb2a8bdb93c5914ed (from https://www.piwheels.org/simple/setuptools/), version: 0.9.7
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2025-08-31T09:24:59,612     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-0.8-py3-none-any.whl#sha256=1794daaa2a7dba56071c2609dbac21aac2d8b55f96180e0cdb62735685d2dfa2 (from https://www.piwheels.org/simple/setuptools/), version: 0.8
2025-08-31T09:24:59,613   Skipping link: not a file: https://www.piwheels.org/simple/setuptools/
2025-08-31T09:24:59,614   Skipping link: not a file: https://pypi.org/simple/setuptools/
2025-08-31T09:24:59,829   Given no hashes to check 833 links for project 'setuptools': discarding no candidates
2025-08-31T09:24:59,963   Collecting setuptools>=40.8.0
2025-08-31T09:24:59,964     Created temporary directory: /tmp/pip-unpack-a3fkt32e
2025-08-31T09:24:59,966     Found index url https://www.piwheels.org/simple/
2025-08-31T09:24:59,967     Looking up "https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl" in the cache
2025-08-31T09:24:59,970     Current age based on date: 157
2025-08-31T09:24:59,977     https://www.piwheels.org:443 "GET /simple/setuptools/setuptools-80.9.0-py3-none-any.whl HTTP/1.1" 304 0
2025-08-31T09:24:59,983     Using cached https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl (1.2 MB)
2025-08-31T09:25:00,072   Created temporary directory: /tmp/pip-unpack-xhdd34hf
2025-08-31T09:25:00,636   Installing collected packages: setuptools
2025-08-31T09:25:01,689   Successfully installed setuptools-80.9.0
2025-08-31T09:25:01,690   Removed build tracker: '/tmp/pip-build-tracker-yl27qnxx'
2025-08-31T09:25:01,913   Installing build dependencies: finished with status 'done'
2025-08-31T09:25:01,916   Getting requirements to build wheel: started
2025-08-31T09:25:01,917   Running command Getting requirements to build wheel
2025-08-31T09:25:09,373   running egg_info
2025-08-31T09:25:09,381   writing xcbm.egg-info/PKG-INFO
2025-08-31T09:25:09,384   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-08-31T09:25:09,396   writing top-level names to xcbm.egg-info/top_level.txt
2025-08-31T09:25:46,238   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:25:47,166   adding license file 'LICENSE'
2025-08-31T09:25:48,191   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:25:48,336   Getting requirements to build wheel: finished with status 'done'
2025-08-31T09:25:48,340   Created temporary directory: /tmp/pip-modern-metadata-nem9axs4
2025-08-31T09:25:48,342   Preparing metadata (pyproject.toml): started
2025-08-31T09:25:48,343   Running command Preparing metadata (pyproject.toml)
2025-08-31T09:25:52,239   running dist_info
2025-08-31T09:25:52,254   creating /tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info
2025-08-31T09:25:52,255   writing /tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/PKG-INFO
2025-08-31T09:25:52,259   writing dependency_links to /tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/dependency_links.txt
2025-08-31T09:25:52,271   writing top-level names to /tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/top_level.txt
2025-08-31T09:25:52,273   writing manifest file '/tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:26:26,976   reading manifest file '/tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:26:26,978   adding license file 'LICENSE'
2025-08-31T09:26:27,604   writing manifest file '/tmp/pip-modern-metadata-nem9axs4/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:26:27,637   creating '/tmp/pip-modern-metadata-nem9axs4/xcbm-0.1.4.dist-info'
2025-08-31T09:26:27,795   Preparing metadata (pyproject.toml): finished with status 'done'
2025-08-31T09:26:27,799   Source in /tmp/pip-wheel-gnlx9zaa/xcbm_f901a6cd4d1941ea99d54516eea78876 has version 0.1.4, which satisfies requirement xcbm==0.1.4 from https://files.pythonhosted.org/packages/4a/bc/2a911fe4b28e72d26eb1de60dee377d1b13aa203628c6a635d386f7c9924/xcbm-0.1.4.tar.gz
2025-08-31T09:26:27,800   Removed xcbm==0.1.4 from https://files.pythonhosted.org/packages/4a/bc/2a911fe4b28e72d26eb1de60dee377d1b13aa203628c6a635d386f7c9924/xcbm-0.1.4.tar.gz from build tracker '/tmp/pip-build-tracker-yl27qnxx'
2025-08-31T09:26:27,804 Created temporary directory: /tmp/pip-unpack-11w8ujjy
2025-08-31T09:26:27,805 Created temporary directory: /tmp/pip-unpack-3jv_0jr_
2025-08-31T09:26:27,805 Building wheels for collected packages: xcbm
2025-08-31T09:26:27,809   Created temporary directory: /tmp/pip-wheel-amtvfxi5
2025-08-31T09:26:27,810   Destination directory: /tmp/pip-wheel-amtvfxi5
2025-08-31T09:26:27,812   Building wheel for xcbm (pyproject.toml): started
2025-08-31T09:26:27,813   Running command Building wheel for xcbm (pyproject.toml)
2025-08-31T09:26:32,015   running bdist_wheel
2025-08-31T09:26:32,037   running build
2025-08-31T09:26:32,038   running build_py
2025-08-31T09:26:32,045   creating build/lib/xcbm
2025-08-31T09:26:32,047   copying xcbm/GMTKN55.py -> build/lib/xcbm
2025-08-31T09:26:32,050   copying xcbm/MGCDB84.py -> build/lib/xcbm
2025-08-31T09:26:32,054   creating build/lib/xcbm/Input_Scripts
2025-08-31T09:26:32,055   copying xcbm/Input_Scripts/calc_MGCDB84.py -> build/lib/xcbm/Input_Scripts
2025-08-31T09:26:32,058   copying xcbm/Input_Scripts/calc_GMTKN55.py -> build/lib/xcbm/Input_Scripts
2025-08-31T09:26:37,290   running egg_info
2025-08-31T09:26:37,304   writing xcbm.egg-info/PKG-INFO
2025-08-31T09:26:37,307   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-08-31T09:26:37,319   writing top-level names to xcbm.egg-info/top_level.txt
2025-08-31T09:27:04,041   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:27:04,980   adding license file 'LICENSE'
2025-08-31T09:27:05,969   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:27:32,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:32,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:32,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:32,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:32,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:32,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:32,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:32,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:32,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:32,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:32,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:32,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:32,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:32,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:32,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:32,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:32,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:32,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:32,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:32,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:32,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:32,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:32,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:32,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:32,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:32,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:32,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:32,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:32,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:32,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:32,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:32,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:32,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:32,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:32,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:32,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:32,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:32,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:32,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:32,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:32,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:32,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:32,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:32,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:32,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:32,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:32,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:32,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:32,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:32,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:32,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:32,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:32,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:32,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:32,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:32,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:32,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:32,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:32,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:27:32,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:27:32,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:27:32,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:27:32,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:27:32,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:27:32,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:27:32,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:27:32,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:27:32,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:27:32,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:27:32,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:27:32,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:27:32,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:27:32,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:27:32,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:27:32,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:27:32,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:27:32,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:27:32,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:27:32,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:27:32,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:27:32,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:27:32,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:27:32,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:32,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:32,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:27:32,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:27:32,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:32,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:32,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:27:32,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:27:32,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:27:32,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:27:32,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:32,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:32,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:27:32,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:27:32,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:27:32,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:27:32,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:32,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:32,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:27:32,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:27:32,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:27:32,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:27:32,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:32,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:32,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:27:32,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:27:32,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:27:32,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:27:32,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:27:32,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:27:32,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:27:32,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:27:32,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:27:32,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:27:32,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:27:32,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:27:32,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:27:32,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:27:32,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:27:32,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:27:32,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:32,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:32,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:27:32,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:27:32,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:32,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:32,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:27:32,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:27:32,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:32,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:32,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:27:32,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:27:32,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:27:32,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:27:32,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:32,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:32,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:32,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:32,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:27:32,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:27:32,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:32,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:32,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:27:32,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:27:32,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:32,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:32,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:32,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:32,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:27:32,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:27:32,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:27:32,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:27:32,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:32,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:32,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:27:32,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:27:32,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:27:32,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:27:32,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:27:32,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:27:32,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:27:32,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:27:32,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:27:32,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:27:32,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:32,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:32,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:27:32,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:27:32,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:27:32,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:27:32,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:27:32,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:27:32,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:27:32,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:27:32,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:27:32,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:27:32,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:27:32,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:27:32,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:27:32,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:27:32,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:32,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:32,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:27:32,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:27:32,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:27:32,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:27:32,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:27:32,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:27:32,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:27:32,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:27:32,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:27:32,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:27:32,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:32,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:32,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:27:32,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:27:32,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:27:32,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:27:32,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:27:32,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:27:32,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:27:32,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:27:32,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:27:32,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:27:32,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:27:32,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:27:32,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:32,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:32,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:27:32,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:27:32,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:27:32,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:27:32,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:32,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:32,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:32,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:32,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:32,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:32,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:27:32,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:27:32,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:27:32,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:27:32,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:27:32,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:27:32,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:27:32,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:27:32,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:32,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:32,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:27:32,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:27:32,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:27:32,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:27:32,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:32,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:32,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:32,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:32,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:27:32,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:27:32,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:27:32,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:27:32,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:27:32,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:27:32,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:32,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:32,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:27:32,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:27:32,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:32,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:32,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:27:32,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:27:32,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:27:32,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:27:32,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:27:32,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:27:32,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:27:32,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:27:32,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:27:32,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:27:32,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:27:32,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:27:32,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:27:32,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:27:32,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:27:32,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:27:32,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:32,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:32,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:27:32,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:27:32,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:32,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:32,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:27:32,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:27:32,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:27:32,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:27:32,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:32,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:32,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:27:32,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:27:32,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:32,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:32,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:27:32,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:27:32,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:32,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:32,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:27:32,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:27:32,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:32,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:32,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:27:32,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:27:32,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:27:32,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:27:32,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:27:32,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:27:32,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:27:32,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:27:32,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:27:32,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:27:32,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:32,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:32,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:32,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:32,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:27:32,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:27:32,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:32,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:32,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:27:32,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:27:32,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:27:32,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:27:32,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:27:32,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:27:32,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:32,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:32,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:32,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:32,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:27:32,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:27:32,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:27:32,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:27:32,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:27:32,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:27:33,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:27:33,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:27:33,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:27:33,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:27:33,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:27:33,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:27:33,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:27:33,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:27:33,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:33,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:33,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:27:33,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:27:33,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:33,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:33,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:27:33,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:27:33,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:27:33,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:27:33,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:27:33,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:27:33,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:33,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:33,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:27:33,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:27:33,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:27:33,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:27:33,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:33,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:33,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:27:33,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:27:33,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:27:33,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:27:33,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:27:33,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:27:33,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:33,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:33,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:33,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:33,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:27:33,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:27:33,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:27:33,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:27:33,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:27:33,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:27:33,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:27:33,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:27:33,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:27:33,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:27:33,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:27:33,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:27:33,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:27:33,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:27:33,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:27:33,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:27:33,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:27:33,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:27:33,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:27:33,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:27:33,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:27:33,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:27:33,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:27:33,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:27:33,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:27:33,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:27:33,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:27:33,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:27:33,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:27:33,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:27:33,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:27:33,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:27:33,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:27:33,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:27:33,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:27:33,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:27:33,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:27:33,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:27:33,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:27:33,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:27:33,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:27:33,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:27:33,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:27:33,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:27:33,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:27:33,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:27:33,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:27:33,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:27:33,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:27:33,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:27:33,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:27:33,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:27:33,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:27:33,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:27:33,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:27:33,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:27:33,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:27:33,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:27:33,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:27:33,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:27:33,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:27:33,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:27:33,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:27:33,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:27:33,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:27:33,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:27:33,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:27:33,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:27:33,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:27:33,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:27:33,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:27:33,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:27:33,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:27:33,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:27:33,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:33,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:33,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:33,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:33,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:33,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:33,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:27:33,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:27:33,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:33,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:33,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:33,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:33,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:33,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:33,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:33,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:33,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:33,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:33,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:27:33,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:27:33,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:33,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:33,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:33,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:33,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:33,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:33,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:33,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:33,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:33,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:33,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:33,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:33,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:33,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:33,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:33,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:33,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:33,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:33,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:33,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:33,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:33,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:33,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:33,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:33,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:33,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:33,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:33,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:33,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:33,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:33,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:33,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:33,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:33,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:33,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:33,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:33,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:33,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:33,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:33,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:33,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:33,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:33,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:33,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:33,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:33,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:33,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:33,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:33,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:27:33,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:27:33,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:33,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:33,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:33,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:33,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:33,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:33,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:27:33,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:27:33,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:27:33,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:27:33,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:33,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:33,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:33,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:33,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:33,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:33,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:33,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:33,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:33,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:33,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:33,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:33,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:33,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:33,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:33,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:33,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:33,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:33,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:33,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:33,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:33,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:33,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:33,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:33,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:33,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:33,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:33,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:33,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:33,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:33,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:33,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:33,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:33,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:33,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:27:33,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:27:33,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:33,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:33,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:27:33,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:27:33,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:27:33,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:27:33,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:27:33,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:27:33,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:27:33,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:27:33,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:27:33,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:27:33,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:27:33,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:27:33,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:27:33,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:27:33,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:27:33,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:27:33,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:27:33,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:27:33,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:27:33,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:27:33,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:27:33,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:27:33,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:27:33,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:27:33,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:27:33,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:27:33,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:27:33,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:27:33,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:33,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:33,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:27:33,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:27:33,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:27:33,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:27:33,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:27:33,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:27:33,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:33,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:33,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:27:33,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:27:33,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:27:33,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:27:33,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:27:33,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:27:33,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:27:33,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:27:33,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:27:33,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:27:33,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:33,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:33,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:33,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:33,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:33,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:33,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:33,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:33,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:33,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:33,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:33,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:33,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:33,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:33,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:33,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:33,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:27:33,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:27:33,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:27:33,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:27:33,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:33,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:33,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:33,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:33,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:27:33,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:27:33,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:33,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:33,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:33,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:33,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:27:33,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:27:33,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:33,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:33,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:33,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:33,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:33,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:33,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:33,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:33,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:33,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:33,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:33,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:33,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:27:33,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:27:33,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:27:33,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:27:33,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:33,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:33,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:33,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:33,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:27:33,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:27:33,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:33,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:33,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:27:33,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:27:33,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:27:33,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:27:33,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:27:33,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:27:33,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:27:33,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:27:33,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:27:33,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:27:33,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:27:33,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:27:33,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:27:33,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:27:33,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:27:33,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:27:33,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:27:33,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:27:33,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:27:33,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:27:33,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:27:33,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:27:33,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:27:33,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:27:33,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:27:33,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:27:33,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:27:33,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:27:33,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:27:33,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:27:33,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:27:33,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:27:33,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:27:33,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:27:33,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:27:33,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:27:33,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:27:33,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:27:33,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:27:33,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:27:33,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:27:33,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:27:33,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:27:33,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:27:33,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:27:33,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:27:33,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:27:33,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:27:33,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:27:33,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:27:33,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:27:33,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:27:33,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:27:33,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:27:33,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:27:33,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:27:33,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:27:33,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:27:33,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:27:33,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:27:33,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:27:33,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:27:33,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:27:33,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:27:33,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:27:33,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:27:33,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:27:33,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:27:33,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:27:33,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:27:33,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:27:33,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:27:33,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:27:33,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:27:33,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:27:33,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:27:33,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:27:33,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:27:33,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:27:33,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:27:33,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:27:33,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:27:33,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:27:33,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:27:33,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:27:33,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:27:33,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:33,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:33,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:33,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:33,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:33,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:33,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:33,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:33,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:33,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:33,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:33,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:33,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:33,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:33,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:33,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:33,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:33,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:33,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:33,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:33,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:33,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:33,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:33,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:33,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:33,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:33,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:33,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:33,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:33,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:33,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:33,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:33,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:33,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:33,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:33,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:33,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:33,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:33,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:33,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:33,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:33,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:33,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:33,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:33,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:33,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:33,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:33,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:33,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:33,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:33,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:33,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:33,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:33,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:33,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:27:33,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:27:33,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:27:33,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:27:33,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:27:33,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:27:33,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:27:33,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:27:33,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:27:33,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:27:33,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:27:33,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:27:33,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:27:33,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:27:33,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:27:33,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:27:33,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:27:33,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:27:33,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:27:33,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:27:33,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:27:33,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:27:33,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:27:33,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:27:33,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:27:33,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:27:33,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:27:33,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:27:33,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:27:33,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:27:33,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:27:33,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:27:33,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:27:33,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:27:33,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:27:33,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:27:33,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:27:33,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:27:33,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:27:33,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:27:33,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:27:33,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:27:33,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:27:33,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:27:33,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:27:33,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:27:33,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:27:33,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:27:33,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:27:33,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:27:33,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:27:33,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:27:33,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:27:33,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:27:34,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:27:34,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:27:34,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:27:34,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:27:34,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:27:34,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:27:34,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:27:34,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:27:34,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:27:34,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:27:34,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:27:34,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:27:34,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:27:34,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:27:34,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:27:34,028   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:27:34,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:27:34,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:27:34,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:27:34,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:27:34,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:27:34,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:27:34,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:27:34,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:27:34,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:27:34,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:27:34,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:27:34,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:27:34,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:34,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:34,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:34,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:34,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:34,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:34,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:34,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:34,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:34,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:34,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:34,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:34,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:34,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:34,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:34,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:34,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:27:34,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:27:34,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:34,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:34,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:34,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:34,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:34,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:34,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:34,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:34,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:34,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:34,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:34,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:34,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:34,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:34,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:34,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:34,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:34,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:34,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:34,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:34,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:34,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:34,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:34,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:34,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:34,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:34,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:34,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:34,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:27:34,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:27:34,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:34,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:34,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:34,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:34,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:34,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:34,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:34,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:34,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:34,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:34,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:34,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:34,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:34,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:34,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:34,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:34,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:34,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:34,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:34,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:34,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:34,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:34,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:34,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:34,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:34,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:34,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:34,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:34,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:34,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:34,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:34,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:34,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:34,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:34,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:34,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:34,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:34,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:34,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:34,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:34,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:34,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:34,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:34,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:34,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:34,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:34,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:34,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:34,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:34,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:34,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:34,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:34,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:27:34,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:27:34,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:27:34,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:27:34,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:27:34,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:27:34,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:27:34,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:27:34,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:34,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:34,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:27:34,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:27:34,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:27:34,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:27:34,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:27:34,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:27:34,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:27:34,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:27:34,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:27:34,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:27:34,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:27:34,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:27:34,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:27:34,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:27:34,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:27:34,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:27:34,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:27:34,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:27:34,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:27:34,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:27:34,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:27:34,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:27:34,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:27:34,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:27:34,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:27:34,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:27:34,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:27:34,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:27:34,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:27:34,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:27:34,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:27:34,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:27:34,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:27:34,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:27:34,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:27:34,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:27:34,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:27:34,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:27:34,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:27:34,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:27:34,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:27:34,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:27:34,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:27:34,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:27:34,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:27:34,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:27:34,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:27:34,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:27:34,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:27:34,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:27:34,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:27:34,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:27:34,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:27:34,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:27:34,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:27:34,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:27:34,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:27:34,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:27:34,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:27:34,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:27:34,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:27:34,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:27:34,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:27:34,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:27:34,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:27:34,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:27:34,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:34,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:34,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:34,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:34,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:27:34,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:27:34,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:27:34,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:27:34,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:34,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:34,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:34,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:34,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:34,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:34,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:34,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:34,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:34,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:34,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:27:34,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:27:34,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:34,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:34,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:34,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:34,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:34,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:34,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:34,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:34,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:34,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:34,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:34,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:34,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:34,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:34,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:34,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:34,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:34,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:34,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:34,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:34,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:27:34,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:27:34,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:34,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:34,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:34,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:34,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:34,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:34,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:34,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:34,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:34,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:34,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:34,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:34,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:34,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:34,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:27:34,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:27:34,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:34,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:34,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:34,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:34,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:27:34,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:27:34,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:34,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:34,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:34,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:34,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:34,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:34,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:27:34,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:27:34,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:34,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:34,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:34,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:34,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:34,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:34,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:34,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:34,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:27:34,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:27:34,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:27:34,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:27:34,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:34,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:34,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:34,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:34,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:27:34,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:27:34,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:34,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:34,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:34,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:34,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:34,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:34,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:27:34,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:27:34,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:34,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:34,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:34,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:34,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:27:34,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:27:34,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:27:34,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:27:34,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:27:34,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:27:34,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:34,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:34,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:27:34,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:27:34,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:27:34,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:27:34,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:27:34,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:27:34,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:27:34,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:27:34,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:27:34,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:27:34,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:27:34,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:27:34,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:27:34,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:27:34,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:27:34,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:27:34,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:27:34,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:27:34,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:34,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:34,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:34,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:34,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:27:34,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:27:34,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:27:34,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:27:34,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:27:34,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:27:34,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:27:34,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:27:34,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:27:34,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:27:34,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:27:34,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:27:34,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:27:34,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:27:34,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:27:34,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:27:34,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:27:34,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:27:34,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:27:34,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:27:34,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:27:34,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:27:34,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:27:34,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:27:34,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:27:34,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:27:34,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:27:34,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:27:34,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:27:34,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:27:34,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:27:34,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:27:34,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:27:34,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:27:34,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:27:34,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:27:34,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:27:34,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:27:34,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:27:34,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:27:34,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:27:34,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:27:34,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:27:34,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:27:34,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:27:34,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:27:34,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:27:34,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:27:34,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:27:34,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:27:34,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:34,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:34,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:34,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:34,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:34,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:34,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:34,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:34,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:27:34,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:27:34,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:27:34,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:27:34,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:27:34,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:27:34,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:27:34,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:27:34,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:27:34,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:27:34,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:27:34,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:27:34,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:27:34,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:27:34,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:27:34,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:27:34,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:27:34,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:27:34,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:27:34,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:27:34,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:27:34,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:27:34,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:27:34,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:27:34,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:27:34,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:27:34,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:27:34,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:27:34,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:27:34,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:27:34,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:27:34,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:27:34,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:27:34,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:27:34,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:27:34,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:27:34,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:27:34,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:27:34,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:27:34,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:27:34,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:27:34,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:27:34,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:27:34,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:27:34,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:27:34,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:27:34,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:27:34,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:27:34,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:27:34,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:27:34,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:27:34,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:27:34,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:27:34,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:27:34,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:27:34,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:27:34,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:27:34,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:27:34,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:27:34,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:27:34,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:27:34,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:27:34,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:27:34,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:27:34,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:27:34,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:27:34,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:27:34,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:27:34,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:27:34,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:27:34,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:27:34,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:27:34,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:27:34,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:27:34,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:27:34,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:27:34,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:27:34,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:27:34,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:27:34,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:27:34,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:27:34,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:27:34,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:27:34,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:27:34,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:27:34,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:27:34,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:27:34,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:27:34,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:27:34,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:27:34,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:27:34,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:27:34,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:27:34,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:27:34,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:27:34,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:27:34,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:27:34,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:27:34,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:27:34,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:27:34,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:27:34,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:27:34,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:27:34,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:27:34,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:27:34,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:27:34,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:27:34,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:27:34,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:27:34,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:27:34,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:27:34,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:27:34,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:27:34,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:27:34,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:27:34,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:27:34,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:27:35,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:27:35,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:27:35,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:27:35,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:27:35,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:27:35,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:27:35,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:27:35,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:27:35,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:27:35,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:27:35,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:27:35,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:27:35,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:27:35,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:27:35,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:27:35,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:27:35,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:27:35,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:27:35,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:27:35,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:27:35,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:27:35,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:27:35,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:27:35,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:27:35,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:27:35,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:27:35,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:27:35,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:27:35,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:27:35,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:27:35,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:27:35,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:27:35,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:27:35,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:27:35,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:27:35,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:27:35,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:27:35,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:27:35,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:27:35,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:27:35,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:27:35,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:27:35,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:27:35,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:27:35,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:27:35,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:27:35,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:27:35,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:27:35,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:27:35,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:27:35,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:27:35,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:27:35,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:27:35,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:27:35,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:27:35,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:27:35,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:27:35,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:27:35,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:27:35,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:27:35,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:27:35,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:27:35,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:27:35,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:27:35,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:27:35,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:27:35,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:27:35,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:27:35,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:27:35,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:27:35,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:27:35,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:27:35,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:27:35,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:27:35,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:27:35,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:27:35,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:27:35,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:27:35,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:27:35,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:27:35,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:27:35,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:27:35,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:27:35,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:27:35,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:27:35,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:27:35,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:27:35,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:27:35,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:27:35,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:35,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:35,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:27:35,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:27:35,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:27:35,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:27:35,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:27:35,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:27:35,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:27:35,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:27:35,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:27:35,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:27:35,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:35,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:35,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:27:35,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:27:35,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:27:35,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:27:35,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:27:35,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:27:35,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:27:35,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:27:35,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:27:35,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:27:35,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:27:35,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:27:35,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:27:35,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:27:35,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:27:35,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:27:35,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:35,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:35,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:27:35,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:27:35,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:27:35,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:27:35,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:35,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:35,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:27:35,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:27:35,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:27:35,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:27:35,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:35,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:35,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:27:35,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:27:35,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:35,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:35,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:35,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:35,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:35,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:35,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:27:35,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:27:35,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:35,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:35,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:35,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:35,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:27:35,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:27:35,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:27:35,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:27:35,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:35,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:35,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:27:35,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:27:35,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:27:35,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:27:35,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:27:35,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:27:35,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:27:35,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:27:35,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:35,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:35,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:35,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:35,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:27:35,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:27:35,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:27:35,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:27:35,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:27:35,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:27:35,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:27:35,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:27:35,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:27:35,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:27:35,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:27:35,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:27:35,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:27:35,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:27:35,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:27:35,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:27:35,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:27:35,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:27:35,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:27:35,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:27:35,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:27:35,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:27:35,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:27:35,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:27:35,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:27:35,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:27:35,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:27:35,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:27:35,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:27:35,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:27:35,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:27:35,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:27:35,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:27:35,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:27:35,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:27:35,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:27:35,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:27:35,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:27:35,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:27:35,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:27:35,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:27:35,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:27:35,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:27:35,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:27:35,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:27:35,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:27:35,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:27:35,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:27:35,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:27:35,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:27:35,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:27:35,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:27:35,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:27:35,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:27:35,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:27:35,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:27:35,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:27:35,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:27:35,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:27:35,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:27:35,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:27:35,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:27:35,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:27:35,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:27:35,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:27:35,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:27:35,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:27:35,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:27:35,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:27:35,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:27:35,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:27:35,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:27:35,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:27:35,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:27:35,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:27:35,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:27:35,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:27:35,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:27:35,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:27:35,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:27:35,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:27:35,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:27:35,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:27:35,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:27:35,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:27:35,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:27:35,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:27:35,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:27:35,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:27:35,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:27:35,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:27:35,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:27:35,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:27:35,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:27:35,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:27:35,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:27:35,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:27:35,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:27:35,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:27:35,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:27:35,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:27:35,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:27:35,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:27:35,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:27:35,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:27:35,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:27:35,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:27:35,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:27:35,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:27:35,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:27:35,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:27:35,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:27:35,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:27:35,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:27:35,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:27:35,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:27:35,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:27:35,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:27:35,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:27:35,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:27:35,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:27:35,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:27:35,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:27:35,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:27:35,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:27:35,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:27:35,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:27:35,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:27:35,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:27:35,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:27:35,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:27:35,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:27:35,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:27:35,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:27:35,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:27:35,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:27:35,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:27:35,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:27:35,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:27:35,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:27:35,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:27:35,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:27:35,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:27:35,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:27:35,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:27:35,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:27:35,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:27:35,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:27:35,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:27:35,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:27:35,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:27:35,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:27:35,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:27:35,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:27:35,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:27:35,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:27:35,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:27:35,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:27:35,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:27:35,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:27:35,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:27:35,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:27:35,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:27:35,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:27:35,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:27:35,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:27:35,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:27:35,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:27:35,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:27:35,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:27:35,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:27:35,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:27:35,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:27:35,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:27:35,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:27:35,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:27:35,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:27:35,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:27:35,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:27:35,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:27:35,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:27:35,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:27:35,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:27:35,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:27:35,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:27:35,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:27:35,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:27:35,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:27:35,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:27:35,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:27:35,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:27:35,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:27:35,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:27:35,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:27:35,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:27:35,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:27:35,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:27:35,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:27:35,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:27:35,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:27:35,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:27:35,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:27:35,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:27:35,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:27:35,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:27:35,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:27:35,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:27:35,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:27:35,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:27:35,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:27:35,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:27:35,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:27:35,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:27:35,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:27:35,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:27:35,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:27:35,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:27:35,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:27:35,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:27:35,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:27:35,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:27:35,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:27:35,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:27:35,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:27:35,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:27:35,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:27:35,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:27:35,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:27:35,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:27:35,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:27:35,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:27:35,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:27:35,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:27:35,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:27:35,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:27:35,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:27:35,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:27:35,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:27:35,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:27:35,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:27:35,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:27:35,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:27:35,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:27:35,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:27:35,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:27:35,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:27:35,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:27:35,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:27:35,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:27:35,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:27:35,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:27:35,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:27:35,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:27:35,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:27:35,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:27:35,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:27:35,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:27:36,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:27:36,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:27:36,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:27:36,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:27:36,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:27:36,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:27:36,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:27:36,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:27:36,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:27:36,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:27:36,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:27:36,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:27:36,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:27:36,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:27:36,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:27:36,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:27:36,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:27:36,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:27:36,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:27:36,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:27:36,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:27:36,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:27:36,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:27:36,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:27:36,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:27:36,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:27:36,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:27:36,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:27:36,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:27:36,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:27:36,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:27:36,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:27:36,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:27:36,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:27:36,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:27:36,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:27:36,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:27:36,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:27:36,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:27:36,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:27:36,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:27:36,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:27:36,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:27:36,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:27:36,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:27:36,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:27:36,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:27:36,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:27:36,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:27:36,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:27:36,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:27:36,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:27:36,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:27:36,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:27:36,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:27:36,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:27:36,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:27:36,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:27:36,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:27:36,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:27:36,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:27:36,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:27:36,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:27:36,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:27:36,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:27:36,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:27:36,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:27:36,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:27:36,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:27:36,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:27:36,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:27:36,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:27:36,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:27:36,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:27:36,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:27:36,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:27:36,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:27:36,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:27:36,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:27:36,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:27:36,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:27:36,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:27:36,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:27:36,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:27:36,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:27:36,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:27:36,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:27:36,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:27:36,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:27:36,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:27:36,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:27:36,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:27:36,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:27:36,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:27:36,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:27:36,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:27:36,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:27:36,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:27:36,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:27:36,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:27:36,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:27:36,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:27:36,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:27:36,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:27:36,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:27:36,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:27:36,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:27:36,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:27:36,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:27:36,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:27:36,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:27:36,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:27:36,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:27:36,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:27:36,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:27:36,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:27:36,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:27:36,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:27:36,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:27:36,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:27:36,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:27:36,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:27:36,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:27:36,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:27:36,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:27:36,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:27:36,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:27:36,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:27:36,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:27:36,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:27:36,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:27:36,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:27:36,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:27:36,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:27:36,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:27:36,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:27:36,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:27:36,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:27:36,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:27:36,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:27:36,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:27:36,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:27:36,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:27:36,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:27:36,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:27:36,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:27:36,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:27:36,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:27:36,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:27:36,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:27:36,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:27:36,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:27:36,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:27:36,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:27:36,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:27:36,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:27:36,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:27:36,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:27:36,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:27:36,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:27:36,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:27:36,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:27:36,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:27:36,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:27:36,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:27:36,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:27:36,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:27:36,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:27:36,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:27:36,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:27:36,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:27:36,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:27:36,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:27:36,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:27:36,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:27:36,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:27:36,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:27:36,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:27:36,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:27:36,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:27:36,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:27:36,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:27:36,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:27:36,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:27:36,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:27:36,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:27:36,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:27:36,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:27:36,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:27:36,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:27:36,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:27:36,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:27:36,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:27:36,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:27:36,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:27:36,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:27:36,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:27:36,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:27:36,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:27:36,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:27:36,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:27:36,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:27:36,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:27:36,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:27:36,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:27:36,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:27:36,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:27:36,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:27:36,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:27:36,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:27:36,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:27:36,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:27:36,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:27:36,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:27:36,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:27:36,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:27:36,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:27:36,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:27:36,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:27:36,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:27:36,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:27:36,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:27:36,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:27:36,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:27:36,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:27:36,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:27:36,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:27:36,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:27:36,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:27:36,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:27:36,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:27:36,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:27:36,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:27:36,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:27:36,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:27:36,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:27:36,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:27:36,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:27:36,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:27:36,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:27:36,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:27:36,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:27:36,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:27:36,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:27:36,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:27:36,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:27:36,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:27:36,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:27:36,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:27:36,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:27:36,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:27:36,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:27:36,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:27:36,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:27:36,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:27:36,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:27:36,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:27:36,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:27:36,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:27:36,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:27:36,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:27:36,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:27:36,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:27:36,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:27:36,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:27:36,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:27:36,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:27:36,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:27:36,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:27:36,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:27:36,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:27:36,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:27:36,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:27:36,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:27:36,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:27:36,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:27:36,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:27:36,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:27:36,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:27:36,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:27:36,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:27:36,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:27:36,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:27:36,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:27:36,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:27:36,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:27:36,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:27:36,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:27:36,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:27:36,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:27:36,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:27:36,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:27:36,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:27:36,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:27:36,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:27:36,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:27:36,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:27:36,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:27:36,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:27:36,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:27:36,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:27:36,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:27:36,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:27:36,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:27:36,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:27:36,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:27:36,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:27:36,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:27:36,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:27:36,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:27:36,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:27:36,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:27:36,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:27:36,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:27:36,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:27:36,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:27:36,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:27:36,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:27:36,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:27:36,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:27:36,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:27:36,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:27:36,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:27:36,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:27:36,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:27:36,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:27:36,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:27:36,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:27:36,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:27:37,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:27:37,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:27:37,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:27:37,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:27:37,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:27:37,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:27:37,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:27:37,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:27:37,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:27:37,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:27:37,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:27:37,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:27:37,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:27:37,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:27:37,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:27:37,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:27:37,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:27:37,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:27:37,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:27:37,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:27:37,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:27:37,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:27:37,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:27:37,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:27:37,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:27:37,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:27:37,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:27:37,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:27:37,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:27:37,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:27:37,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:27:37,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:27:37,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:27:37,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:27:37,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:27:37,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:27:37,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:27:37,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:27:37,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:27:37,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:27:37,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:27:37,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:27:37,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:27:37,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:27:37,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:27:37,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:27:37,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:27:37,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:27:37,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:27:37,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:27:37,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:27:37,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:27:37,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:27:37,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:27:37,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:27:37,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:27:37,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:27:37,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:27:37,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:27:37,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:27:37,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:27:37,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:27:37,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:27:37,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:27:37,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:27:37,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:27:37,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:27:37,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:27:37,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:27:37,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:27:37,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:27:37,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:27:37,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:27:37,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:27:37,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:27:37,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:27:37,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:27:37,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:27:37,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:27:37,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:27:37,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:27:37,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:27:37,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:27:37,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:27:37,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:27:37,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:27:37,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:27:37,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:27:37,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:27:37,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:27:37,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:27:37,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:27:37,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:27:37,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:27:37,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:27:37,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:27:37,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:27:37,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:27:37,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:27:37,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:27:37,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:27:37,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:27:37,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:27:37,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:27:37,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:27:37,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:27:37,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:27:37,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:27:37,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:27:37,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:27:37,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:27:37,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:27:37,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:27:37,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:27:37,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:27:37,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:27:37,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:27:37,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:27:37,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:27:37,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:27:37,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:27:37,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:27:37,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:27:37,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:27:37,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:27:37,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:27:37,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:27:37,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:27:37,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:27:37,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:27:37,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:27:37,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:27:37,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:27:37,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:27:37,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:27:37,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:27:37,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:27:37,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:27:37,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:27:37,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:27:37,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:27:37,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:27:37,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:27:37,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:27:37,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:27:37,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:27:37,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:27:37,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:27:37,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:27:37,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:27:37,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:27:37,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:27:37,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:27:37,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:27:37,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:27:37,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:27:37,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:27:37,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:27:37,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:27:37,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:27:37,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:27:37,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:27:37,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:27:37,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:27:37,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:27:37,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:27:37,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:27:37,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:27:37,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:27:37,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:27:37,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:27:37,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:27:37,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:27:37,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:27:37,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:27:37,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:27:37,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:27:37,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:27:37,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:27:37,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:27:37,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:27:37,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:27:37,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:27:37,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:27:37,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:27:37,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:27:37,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:27:37,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:27:37,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:27:37,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:27:37,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:27:37,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:27:37,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:27:37,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:27:37,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:27:37,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:27:37,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:27:37,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:27:37,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:27:37,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:27:37,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:27:37,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:27:37,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:27:37,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:27:37,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:27:37,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:27:37,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:27:37,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:27:37,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:27:37,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:27:37,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:27:37,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:27:37,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:27:37,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:27:37,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:27:37,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:27:37,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:27:37,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:27:37,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:27:37,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:27:37,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:27:37,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:27:37,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:27:37,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:27:37,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:27:37,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:27:37,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:27:37,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:27:37,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:27:37,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:27:37,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:27:37,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:27:37,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:27:37,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:27:37,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:27:37,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:27:37,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:27:37,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:27:37,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:27:37,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:27:37,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:27:37,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:27:37,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:27:37,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:27:37,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:27:37,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:27:37,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:27:37,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:27:37,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:27:37,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:27:37,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:27:37,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:27:37,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:27:37,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:27:37,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:27:38,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:27:38,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:27:38,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:27:38,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:27:38,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:27:38,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:27:38,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:27:38,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:27:38,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:27:38,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:27:38,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:27:38,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:27:38,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:27:38,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:27:38,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:27:38,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:27:38,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:27:38,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:27:38,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:27:38,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:27:38,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:27:38,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:27:38,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:27:38,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:27:38,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:27:38,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:27:38,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:27:38,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:27:38,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:27:38,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:27:38,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:27:38,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:27:38,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:27:38,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:27:38,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:27:38,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:27:38,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:27:38,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:27:38,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:27:38,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:27:38,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:27:38,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:27:38,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:27:38,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:27:38,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:27:38,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:27:38,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:27:38,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:27:38,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:27:38,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:27:38,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:27:38,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:27:38,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:27:38,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:27:38,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:27:38,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:27:38,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:27:38,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:27:38,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:27:38,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:27:38,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:27:38,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:27:38,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:27:38,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:27:38,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:27:38,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:27:38,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:27:38,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:27:38,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:27:38,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:27:38,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:27:38,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:27:38,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:27:38,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:27:38,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:27:38,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:27:38,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:27:38,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:27:38,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:27:38,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:27:38,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:27:38,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:27:38,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:27:38,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:27:38,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:27:38,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:27:38,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:27:38,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:27:38,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:27:38,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:27:38,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:27:38,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:27:38,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:27:38,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:27:38,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:27:38,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:27:38,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:27:38,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:27:38,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:27:38,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:27:38,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:27:38,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:27:38,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:27:38,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:27:38,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:27:38,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:27:38,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:27:38,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:27:38,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:27:38,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:27:38,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:27:38,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:27:38,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:27:38,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:27:38,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:27:38,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:27:38,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:27:38,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:27:38,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:27:38,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:27:38,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:27:38,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:27:38,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:27:38,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:27:38,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:27:38,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:27:38,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:27:38,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:27:38,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:27:38,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:27:38,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:27:38,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:27:38,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:27:38,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:27:38,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:27:38,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:27:38,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:27:38,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:27:38,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:27:38,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:27:38,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:27:38,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:27:38,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:27:38,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:27:38,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:27:38,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:27:38,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:27:38,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:27:38,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:27:38,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:27:38,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:27:38,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:27:38,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:27:38,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:27:38,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:27:38,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:27:38,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:27:38,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:27:38,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:27:38,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:27:38,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:27:38,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:27:38,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:27:38,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:27:38,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:27:38,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:27:38,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:27:38,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:27:38,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:27:38,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:27:38,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:27:38,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:27:38,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:27:38,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:27:38,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:27:38,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:27:38,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:27:38,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:27:38,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:27:38,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:27:38,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:27:38,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:27:38,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:27:38,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:27:38,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:27:38,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:27:38,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:27:38,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:27:38,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:27:38,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:27:38,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:27:38,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:27:38,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:27:38,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:27:38,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:27:38,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:27:38,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:27:38,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:27:38,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:27:38,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:27:38,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:27:38,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:27:38,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:27:38,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:27:38,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:27:38,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:27:38,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:27:38,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:27:38,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:27:38,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:27:38,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:27:38,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:27:38,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:27:38,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:27:38,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:27:38,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:27:38,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:27:38,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:27:38,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:27:38,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:27:38,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:27:38,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:27:38,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:27:38,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:27:38,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:27:38,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:27:38,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:27:38,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:27:38,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:27:38,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:27:38,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:27:38,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:27:38,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:27:38,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:27:38,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:27:38,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:27:38,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:27:38,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:27:38,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:27:38,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:27:38,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:27:38,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:27:38,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:27:38,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:27:38,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:27:38,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:27:38,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:27:38,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:27:38,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:27:38,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:27:38,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:27:38,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:27:38,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:27:38,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:27:38,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:27:38,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:27:38,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:27:38,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:27:38,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:27:38,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:27:38,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:27:38,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:27:38,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:27:38,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:27:38,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:27:38,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:27:38,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:27:38,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:27:38,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:27:38,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:27:38,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:27:38,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:27:38,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:27:38,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:27:38,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:27:38,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:27:38,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:27:38,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:27:38,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:27:38,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:27:38,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:27:38,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:27:38,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:27:38,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:27:38,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:27:38,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:27:38,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:27:38,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:27:38,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:27:38,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:27:38,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:27:38,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:27:38,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:27:38,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:27:38,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:27:38,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:27:38,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:27:38,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:27:38,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:27:38,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:27:38,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:27:38,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:27:38,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:27:38,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:27:38,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:27:38,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:27:38,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:27:38,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:27:38,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:27:38,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:27:38,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:27:38,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:27:38,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:27:38,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:27:38,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:27:38,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:27:38,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:27:38,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:27:38,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:27:38,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:27:38,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:27:38,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:27:38,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:27:38,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:27:38,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:27:38,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:27:38,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:27:38,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:27:38,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:27:38,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:27:38,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:27:38,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:27:38,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:27:38,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:27:38,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:27:38,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:27:38,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:27:38,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:27:38,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:27:38,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:27:38,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:27:38,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:27:38,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:27:38,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:27:38,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:27:38,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:27:38,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:27:38,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:27:38,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:27:38,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:27:38,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:27:38,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:27:38,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:27:38,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:27:38,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:27:38,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:27:38,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:27:38,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:27:38,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:27:38,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:27:38,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:27:38,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:27:39,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:27:39,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:27:39,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:27:39,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:27:39,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:27:39,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:27:39,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:27:39,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:27:39,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:27:39,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:27:39,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:27:39,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:27:39,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:27:39,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:27:39,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:27:39,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:27:39,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:27:39,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:27:39,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:27:39,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:27:39,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:27:39,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:27:39,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:27:39,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:27:39,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:27:39,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:27:39,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:27:39,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:27:39,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:27:39,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:27:39,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:27:39,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:27:39,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:27:39,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:27:39,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:27:39,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:27:39,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:27:39,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:27:39,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:27:39,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:27:39,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:27:39,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:27:39,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:27:39,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:27:39,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:27:39,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:27:39,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:27:39,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:27:39,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:27:39,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:27:39,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:27:39,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:27:39,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:27:39,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:27:39,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:27:39,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:27:39,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:27:39,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:27:39,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:27:39,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:27:39,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:27:39,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:27:39,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:27:39,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:27:39,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:27:39,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:27:39,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:27:39,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:27:39,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:27:39,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:27:39,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:27:39,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:27:39,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:27:39,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:27:39,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:27:39,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:27:39,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:27:39,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:27:39,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:27:39,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:27:39,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:27:39,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:27:39,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:27:39,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:27:39,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:27:39,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:27:39,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:27:39,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:27:39,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:27:39,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:27:39,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:27:39,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:27:39,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:27:39,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:27:39,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:27:39,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:27:39,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:27:39,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:27:39,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:27:39,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:27:39,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:27:39,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:27:39,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:27:39,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:27:39,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:27:39,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:27:39,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:27:39,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:27:39,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:27:39,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:27:39,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:27:39,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:27:39,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:27:39,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:27:39,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:27:39,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:27:39,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:27:39,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:27:39,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:27:39,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:27:39,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:27:39,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:27:39,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:27:39,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:27:39,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:27:39,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:27:39,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:27:39,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:27:39,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:27:39,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:27:39,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:27:39,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:27:39,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:27:39,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:27:39,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:27:39,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:27:39,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:27:39,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:27:39,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:27:39,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:27:39,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:27:39,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:27:39,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:27:39,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:27:39,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:27:39,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:27:39,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:27:39,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:27:39,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:27:39,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:27:39,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:27:39,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:27:39,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:27:39,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:27:39,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:27:39,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:27:39,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:27:39,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:27:39,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:27:39,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:27:39,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:27:39,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:27:39,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:27:39,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:27:39,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:27:39,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:27:39,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:27:39,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:27:39,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:27:39,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:27:39,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:27:39,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:27:39,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:27:39,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:27:39,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:27:39,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:27:39,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:27:39,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:27:39,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:27:39,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:27:39,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:27:39,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:27:39,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:27:39,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:27:39,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:27:39,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:27:39,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:27:39,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:27:39,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:27:39,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:27:39,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:27:39,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:27:39,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:27:39,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:27:39,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:27:39,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:27:39,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:27:39,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:27:39,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:27:39,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:27:39,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:27:39,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:27:39,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:27:39,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:27:39,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:27:39,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:27:39,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:27:39,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:27:39,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:27:39,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:27:39,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:27:39,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:27:39,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:27:39,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:27:39,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:27:39,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:27:39,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:27:39,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:27:39,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:27:39,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:27:39,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:27:39,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:27:39,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:27:39,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:27:39,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:27:39,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:27:39,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:27:39,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:27:39,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:27:39,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:27:39,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:27:39,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:27:39,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:27:39,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:27:39,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:27:39,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:27:39,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:27:39,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:27:39,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:27:39,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:27:39,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:27:39,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:27:39,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:27:39,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:27:39,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:27:39,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:27:39,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:27:39,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:27:39,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:27:39,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:27:39,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:27:39,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:27:39,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:27:39,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:27:39,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:27:39,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:27:39,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:27:39,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:27:39,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:27:39,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:27:39,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:27:39,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:27:39,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:27:39,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:27:39,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:27:39,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:27:39,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:27:39,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:27:39,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:27:39,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:27:39,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:27:39,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:27:39,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:27:39,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:27:39,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:27:39,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:27:39,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:27:39,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:27:39,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:27:39,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:27:39,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:27:39,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:27:39,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:27:39,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:27:39,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:27:39,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:27:39,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:27:39,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:27:39,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:27:39,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:27:39,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:27:39,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:27:39,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:27:39,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:27:39,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:27:39,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:27:39,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:27:39,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:27:39,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:27:39,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:27:39,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:27:39,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:27:39,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:27:39,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:27:39,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:27:39,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:27:39,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:27:39,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:27:39,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:27:39,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:27:39,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:27:39,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:27:39,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:27:39,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:27:39,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:27:39,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:27:39,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:27:39,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:27:39,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:27:39,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:27:39,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:27:39,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:27:39,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:27:39,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:27:39,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:27:39,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:27:39,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:27:39,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:27:39,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:27:39,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:27:39,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:27:39,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:27:39,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:27:39,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:27:39,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:27:39,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:27:39,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:27:39,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:27:39,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:27:39,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:27:39,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:27:39,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:27:39,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:27:39,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:27:39,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:27:39,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:27:39,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:27:39,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:27:39,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:27:39,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:27:39,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:27:39,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:27:39,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:27:39,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:27:39,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:27:39,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:27:39,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:27:39,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:27:39,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:27:39,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:27:39,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:27:39,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:27:39,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:27:39,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:27:39,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:27:39,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:27:39,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:27:39,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:27:39,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:27:39,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:27:39,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:27:39,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:27:39,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:27:39,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:27:39,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:27:39,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:27:39,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:27:39,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:27:39,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:27:39,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:27:39,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:27:39,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:27:39,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:27:39,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:27:39,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:27:39,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:27:39,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:27:39,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:27:39,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:27:39,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:27:39,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:27:39,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:27:39,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:27:39,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:27:39,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:27:39,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:27:39,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:27:39,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:27:39,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:27:39,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:27:39,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:27:39,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:27:39,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:27:39,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:27:39,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:27:39,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:27:39,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:27:39,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:27:39,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:27:39,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:27:39,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:27:39,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:27:39,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:27:39,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:27:39,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:27:39,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:27:39,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:27:39,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:27:39,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:27:39,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:27:39,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:27:39,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:27:39,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:27:39,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:27:39,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:27:39,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:27:39,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:27:39,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:27:39,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:27:39,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:27:39,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:27:39,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:27:39,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:27:39,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:27:39,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:27:39,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:27:39,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:27:39,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:27:39,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:27:39,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:27:39,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:27:39,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:27:39,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:27:39,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:27:39,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:27:39,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:27:39,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:27:39,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:27:39,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:27:39,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:27:39,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:27:39,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:27:39,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:27:39,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:27:39,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:27:39,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:27:39,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:27:39,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:27:39,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:27:39,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:27:39,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:27:39,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:27:39,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:27:39,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:27:39,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:27:39,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:27:39,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:27:39,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:27:39,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:27:39,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:27:39,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:27:39,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:27:39,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:27:39,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:27:39,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:27:39,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:27:39,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:27:39,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:27:39,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:27:39,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:27:39,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:27:39,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:27:39,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:27:39,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:27:39,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:27:39,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:27:39,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:27:39,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:27:39,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:27:39,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:27:39,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:27:39,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:27:39,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:27:39,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:27:39,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:27:39,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:27:39,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:27:39,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:27:39,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:27:39,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:27:39,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:27:39,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:27:39,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:27:39,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:27:39,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:27:39,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:27:39,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:27:39,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:27:39,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:27:39,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:27:39,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:27:39,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:27:39,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:27:39,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:27:39,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:27:39,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:27:39,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:27:39,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:27:39,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:27:39,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:27:39,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:27:39,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:27:39,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:27:39,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:27:39,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:27:40,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:27:40,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:27:40,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:27:40,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:27:40,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:27:40,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:27:40,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:27:40,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:27:40,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:27:40,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:27:40,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:27:40,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:27:40,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:27:40,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:27:40,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:27:40,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:27:40,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:27:40,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:27:40,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:27:40,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:27:40,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:27:40,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:27:40,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:27:40,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:27:40,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:27:40,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:27:40,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:27:40,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:27:40,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:27:40,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:27:40,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:27:40,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:27:40,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:27:40,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:27:40,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:27:40,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:27:40,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:27:40,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:27:40,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:27:40,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:27:40,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:27:40,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:27:40,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:27:40,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:27:40,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:27:40,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:27:40,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:27:40,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:27:40,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:27:40,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:27:40,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:27:40,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:27:40,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:27:40,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:27:40,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:27:40,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:27:40,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:27:40,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:27:40,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:27:40,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:27:40,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:27:40,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:27:40,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:27:40,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:27:40,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:27:40,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:27:40,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:27:40,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:27:40,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:27:40,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:27:40,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:27:40,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:27:40,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:27:40,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:27:40,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:27:40,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:27:40,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:27:40,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:27:40,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:27:40,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:27:40,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:27:40,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:27:40,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:27:40,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:27:40,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:27:40,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:27:40,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:27:40,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:27:40,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:27:40,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:27:40,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:27:40,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:27:40,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:27:40,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:27:40,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:27:40,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:27:40,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:27:40,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:27:40,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:27:40,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:27:40,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:27:40,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:27:40,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:27:40,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:27:40,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:27:40,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:27:40,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:27:40,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:27:40,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:27:40,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:27:40,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:27:40,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:27:40,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:27:40,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:27:40,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:27:40,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:27:40,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:27:40,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:27:40,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:27:40,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:27:40,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:27:40,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:27:40,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:27:40,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:27:40,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:27:40,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:27:40,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:27:40,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:27:40,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:27:40,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:27:40,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:27:40,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:27:40,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:27:40,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:27:40,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:27:40,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:27:40,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:27:40,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:27:40,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:27:40,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:27:40,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:27:40,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:27:40,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:27:40,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:27:40,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:27:40,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:27:40,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:27:40,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:27:40,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:27:40,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:27:40,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:27:40,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:27:40,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:27:40,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:27:40,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:27:40,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:27:40,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:27:40,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:27:40,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:27:40,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:27:40,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:27:40,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:27:40,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:27:40,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:27:40,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:27:40,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:27:40,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:27:40,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:27:40,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:27:40,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:27:40,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:27:40,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:27:40,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:27:40,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:27:40,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:27:40,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:27:40,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:27:40,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:27:40,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:27:40,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:27:40,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:27:40,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:27:40,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:27:40,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:27:40,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:27:40,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:27:40,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:27:40,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:27:40,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:27:40,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:27:40,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:27:40,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:27:40,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:27:40,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:27:40,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:27:40,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:27:40,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:27:40,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:27:40,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:27:40,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:27:40,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:27:40,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:27:40,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:27:40,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:27:40,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:27:40,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:27:40,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:27:40,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:27:40,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:27:40,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:27:40,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:27:40,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:27:40,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:27:40,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:27:40,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:27:40,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:27:40,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:27:40,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:27:40,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:27:40,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:27:40,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:27:40,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:27:40,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:27:40,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:27:40,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:27:40,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:27:40,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:27:40,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:27:40,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:27:40,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:27:40,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:27:40,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:27:40,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:27:40,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:27:40,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:27:40,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:27:40,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:27:40,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:27:40,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:27:40,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:27:40,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:27:40,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:27:40,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:27:40,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:27:40,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:27:40,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:27:40,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:27:40,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:27:40,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:27:40,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:27:40,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:27:40,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:27:40,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:27:40,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:27:40,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:27:40,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:27:40,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:27:40,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:27:40,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:27:40,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:27:40,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:27:40,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:27:40,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:27:40,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:27:40,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:27:40,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:27:40,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:27:40,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:27:40,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:27:40,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:27:40,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:27:40,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:27:40,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:27:40,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:27:40,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:27:40,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:27:40,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:27:40,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:27:40,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:27:40,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:27:40,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:27:40,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:27:40,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:27:40,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:27:40,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:27:40,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:27:40,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:27:40,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:27:40,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:27:40,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:27:40,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:27:40,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:27:40,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:27:40,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:27:40,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:27:40,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:27:40,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:27:40,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:27:40,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:27:40,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:27:40,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:27:40,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:27:40,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:27:40,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:27:40,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:27:40,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:27:40,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:27:40,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:27:40,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:27:40,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:27:40,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:27:40,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:27:40,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:27:40,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:27:40,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:27:40,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:27:40,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:27:40,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:27:40,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:27:40,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:27:40,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:27:40,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:27:40,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:27:40,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:27:40,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:27:40,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:27:40,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:27:40,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:27:40,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:27:40,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:27:40,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:27:40,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:27:40,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:27:40,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:27:40,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:27:40,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:27:40,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:27:40,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:27:40,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:27:40,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:27:40,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:27:40,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:27:40,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:27:40,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:27:40,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:27:40,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:27:40,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:27:40,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:27:40,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:27:40,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:27:40,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:27:40,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:27:40,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:27:40,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:27:40,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:27:40,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:27:40,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:27:40,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:27:40,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:27:40,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:27:40,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:27:40,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:27:40,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:27:40,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:27:40,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:27:40,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:27:40,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:27:40,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:27:40,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:27:40,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:27:40,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:27:40,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:27:40,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:27:40,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:27:40,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:27:40,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:27:40,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:27:40,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:27:40,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:27:40,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:27:40,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:27:40,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:27:40,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:27:40,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:27:40,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:27:40,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:27:40,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:27:40,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:27:40,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:27:40,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:27:40,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:27:40,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:27:40,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:27:40,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:27:40,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:27:40,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:27:40,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:27:40,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:27:40,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:27:40,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:27:40,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:27:40,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:27:40,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:27:40,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:27:40,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:27:40,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:27:40,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:27:40,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:27:40,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:27:40,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:27:40,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:27:40,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:27:40,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:27:40,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:27:40,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:27:40,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:27:40,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:27:40,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:27:40,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:27:40,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:27:40,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:27:40,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:27:40,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:27:40,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:27:40,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:27:40,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:27:40,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:27:40,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:27:40,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:27:40,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:27:40,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:27:40,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:27:40,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:27:40,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:27:40,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:27:40,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:27:40,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:27:40,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:27:40,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:27:40,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:27:40,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:27:40,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:27:40,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:27:40,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:27:40,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:27:40,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:27:40,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:27:40,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:27:40,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:27:40,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:27:40,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:27:40,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:27:40,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:27:40,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:27:40,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:27:40,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:27:40,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:27:40,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:27:40,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:27:40,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:27:40,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:27:40,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:27:40,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:27:40,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:27:40,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:27:40,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:27:40,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:27:40,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:27:40,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:27:40,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:27:40,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:27:40,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:27:40,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:27:40,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:27:40,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:27:40,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:27:40,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:27:40,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:27:40,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:27:40,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:27:40,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:27:40,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:27:40,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:27:40,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:27:40,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:27:40,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:27:40,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:27:40,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:27:40,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:27:40,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:27:40,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:27:40,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:27:40,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:27:40,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:27:40,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:27:40,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:27:40,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:27:40,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:27:40,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:27:40,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:27:40,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:27:40,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:27:40,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:27:40,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:27:40,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:27:40,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:27:40,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:27:40,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:27:40,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:27:40,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:27:40,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:27:41,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:27:41,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:27:41,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:27:41,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:27:41,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:27:41,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:27:41,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:27:41,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:27:41,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:27:41,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:27:41,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:27:41,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:27:41,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:27:41,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:27:41,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:27:41,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:27:41,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:27:41,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:27:41,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:27:41,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:27:41,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:27:41,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:27:41,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:27:41,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:27:41,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:27:41,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:27:41,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:27:41,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:27:41,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:27:41,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:27:41,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:27:41,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:27:41,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:27:41,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:27:41,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:27:41,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:27:41,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:27:41,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:27:41,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:27:41,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:27:41,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:27:41,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:27:41,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:27:41,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:27:41,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:27:41,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:27:41,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:27:41,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:27:41,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:27:41,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:27:41,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:27:41,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:27:41,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:27:41,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:27:41,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:27:41,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:27:41,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:27:41,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:27:41,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:27:41,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:27:41,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:27:41,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:27:41,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:27:41,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:27:41,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:27:41,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:27:41,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:27:41,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:27:41,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:27:41,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:27:41,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:27:41,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:27:41,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:27:41,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:27:41,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:27:41,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:27:41,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:27:41,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:27:41,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:27:41,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:27:41,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:27:41,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:27:41,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:27:41,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:27:41,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:27:41,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:27:41,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:27:41,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:27:41,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:27:41,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:27:41,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:27:41,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:27:41,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:27:41,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:27:41,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:27:41,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:27:41,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:27:41,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:27:41,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:27:41,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:27:41,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:27:41,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:27:41,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:27:41,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:27:41,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:27:41,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:27:41,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:27:41,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:27:41,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:27:41,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:27:41,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:27:41,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:27:41,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:27:41,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:27:41,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:27:41,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:27:41,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:27:41,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:27:41,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:27:41,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:27:41,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:27:41,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:27:41,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:27:41,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:27:41,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:27:41,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:27:41,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:27:41,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:27:41,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:27:41,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:27:41,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:27:41,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:27:41,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:27:41,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:27:41,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:27:41,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:27:41,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:27:41,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:27:41,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:27:41,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:27:41,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:27:41,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:27:41,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:27:41,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:27:41,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:27:41,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:27:41,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:27:41,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:27:41,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:27:41,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:27:41,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:27:41,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:27:41,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:27:41,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:27:41,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:27:41,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:27:41,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:27:41,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:27:41,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:27:41,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:27:41,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:27:41,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:27:41,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:27:41,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:27:41,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:27:41,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:27:41,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:27:41,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:27:41,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:27:41,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:27:41,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:27:41,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:27:41,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:27:41,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:27:41,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:27:41,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:27:41,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:27:41,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:27:41,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:27:41,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:27:41,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:27:41,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:27:41,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:27:41,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:27:41,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:27:41,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:27:41,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:27:41,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:27:41,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:27:41,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:27:41,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:27:41,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:27:41,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:27:41,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:27:41,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:27:41,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:27:41,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:27:41,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:27:41,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:27:41,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:27:41,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:27:41,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:27:41,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:27:41,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:27:41,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:27:41,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:27:41,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:27:41,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:27:41,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:27:41,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:27:41,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:27:41,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:27:41,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:27:41,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:27:41,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:27:41,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:27:41,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:27:41,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:27:41,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:27:41,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:27:41,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:27:41,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:27:41,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:27:41,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:27:41,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:27:41,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:27:41,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:27:41,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:27:41,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:27:41,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:27:41,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:27:41,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:27:41,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:27:41,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:27:41,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:27:41,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:27:41,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:27:41,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:27:41,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:27:41,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:27:41,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:27:41,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:27:41,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:27:41,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:27:41,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:27:41,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:27:41,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:27:41,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:27:41,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:27:41,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:27:41,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:27:41,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:27:41,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:27:41,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:27:41,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:27:41,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:27:41,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:27:41,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:27:41,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:27:41,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:27:41,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:27:41,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:27:41,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:27:41,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:27:41,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:27:41,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:27:41,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:27:41,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:27:41,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:27:41,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:27:41,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:27:41,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:27:41,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:27:41,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:27:41,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:27:41,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:27:41,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:27:41,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:27:41,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:27:41,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:27:41,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:27:41,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:27:41,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:27:41,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:27:41,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:27:41,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:27:41,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:27:41,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:27:41,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:27:41,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:27:41,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:27:41,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:27:41,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:27:41,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:27:41,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:27:41,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:27:41,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:27:41,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:27:41,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:27:41,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:27:41,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:27:41,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:27:41,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:27:41,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:27:41,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:27:41,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:27:41,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:27:41,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:27:41,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:27:41,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:27:41,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:27:41,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:27:41,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:27:41,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:27:41,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:27:41,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:27:41,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:27:41,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:27:41,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:27:41,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:27:41,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:27:41,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:27:41,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:27:41,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:27:41,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:27:41,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:27:41,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:27:41,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:27:41,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:27:41,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:27:41,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:27:41,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:27:41,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:27:41,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:27:41,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:27:41,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:27:41,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:27:41,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:27:41,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:27:41,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:27:41,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:27:41,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:27:41,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:27:41,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:27:41,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:27:41,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:27:41,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:27:41,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:27:41,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:27:41,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:27:41,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:27:41,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:27:41,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:27:41,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:27:41,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:27:41,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:27:41,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:27:41,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:27:41,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:27:41,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:27:41,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:27:41,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:27:41,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:27:41,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:27:41,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:27:41,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:27:41,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:27:41,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:27:41,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:27:41,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:27:41,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:27:41,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:27:41,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:27:41,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:27:41,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:27:41,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:27:41,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:27:41,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:27:41,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:27:41,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:27:41,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:27:41,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:27:41,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:27:41,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:27:41,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:27:41,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:27:41,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:27:41,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:27:41,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:27:41,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:27:41,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:27:41,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:27:41,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:27:41,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:27:41,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:27:41,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:27:41,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:27:41,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:27:41,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:27:41,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:27:41,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:27:41,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:27:41,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:27:41,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:27:41,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:27:41,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:27:41,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:27:41,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:27:41,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:27:41,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:27:41,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:27:41,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:27:41,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:27:41,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:27:41,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:27:41,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:27:41,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:27:41,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:27:41,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:27:41,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:27:41,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:27:41,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:27:41,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:27:41,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:27:41,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:27:41,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:27:41,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:27:41,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:27:41,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:27:41,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:27:41,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:27:41,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:27:41,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:27:41,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:27:41,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:27:41,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:27:41,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:27:41,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:27:41,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:27:41,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:27:41,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:27:41,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:27:41,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:27:41,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:27:41,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:27:41,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:27:41,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:27:41,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:27:41,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:27:41,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:27:41,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:27:41,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:27:41,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:27:41,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:27:41,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:27:41,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:27:41,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:27:41,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:27:41,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:27:41,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:27:41,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:27:41,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:27:41,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:27:41,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:27:41,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:27:41,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:27:41,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:27:41,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:27:41,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:27:41,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:27:41,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:27:41,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:27:41,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:27:41,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:27:41,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:27:41,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:27:41,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:27:41,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:27:41,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:27:41,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:27:41,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:27:41,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:27:41,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:27:41,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:27:41,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:27:41,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:27:41,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:27:41,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:27:42,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:27:42,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:27:42,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:27:42,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:27:42,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:27:42,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:27:42,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:27:42,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:27:42,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:27:42,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:27:42,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:27:42,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:27:42,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:27:42,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:27:42,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:27:42,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:27:42,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:27:42,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:27:42,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:27:42,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:27:42,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:27:42,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:27:42,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:27:42,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:27:42,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:27:42,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:27:42,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:27:42,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:27:42,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:27:42,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:27:42,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:27:42,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:27:42,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:27:42,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:27:42,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:27:42,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:27:42,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:27:42,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:27:42,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:27:42,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:27:42,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:27:42,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:27:42,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:27:42,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:27:42,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:27:42,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:27:42,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:27:42,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:27:42,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:27:42,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:27:42,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:27:42,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:27:42,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:27:42,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:27:42,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:27:42,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:27:42,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:27:42,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:27:42,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:27:42,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:27:42,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:27:42,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:27:42,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:27:42,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:27:42,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:27:42,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:27:42,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:27:42,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:27:42,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:27:42,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:27:42,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:27:42,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:27:42,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:27:42,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:27:42,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:27:42,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:27:42,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:27:42,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:27:42,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:27:42,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:27:42,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:27:42,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:27:42,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:27:42,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:27:42,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:27:42,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:27:42,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:27:42,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:27:42,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:27:42,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:27:42,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:27:42,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:27:42,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:27:42,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:27:42,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:27:42,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:27:42,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:27:42,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:27:42,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:27:42,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:27:42,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:27:42,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:27:42,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:27:42,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:27:42,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:27:42,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:27:42,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:27:42,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:27:42,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:27:42,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:27:42,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:27:42,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:27:42,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:27:42,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:27:42,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:27:42,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:27:42,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:27:42,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:27:42,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:27:42,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:27:42,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:27:42,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:27:42,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:27:42,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:27:42,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:27:42,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:27:42,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:27:42,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:27:42,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:27:42,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:27:42,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:27:42,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:27:42,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:27:42,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:27:42,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:27:42,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:27:42,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:27:42,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:27:42,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:27:42,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:27:42,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:27:42,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:27:42,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:27:42,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:27:42,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:27:42,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:27:42,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:27:42,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:27:42,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:27:42,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:27:42,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:27:42,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:27:42,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:27:42,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:27:42,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:27:42,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:27:42,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:27:42,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:27:42,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:27:42,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:27:42,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:27:42,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:27:42,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:27:42,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:27:42,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:27:42,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:27:42,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:27:42,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:27:42,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:27:42,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:27:42,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:27:42,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:27:42,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:27:42,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:27:42,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:27:42,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:27:42,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:27:42,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:27:42,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:27:42,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:27:42,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:27:42,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:27:42,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:27:42,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:27:42,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:27:42,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:27:42,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:27:42,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:27:42,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:27:42,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:27:42,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:27:42,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:27:42,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:27:42,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:27:42,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:27:42,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:27:42,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:27:42,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:27:42,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:27:42,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:27:42,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:27:42,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:27:42,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:27:42,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:27:42,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:27:42,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:27:42,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:27:42,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:27:42,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:27:42,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:27:42,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:27:42,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:27:42,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:27:42,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:27:42,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:27:42,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:27:42,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:27:42,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:27:42,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:27:42,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:27:42,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:27:42,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:27:42,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:27:42,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:27:42,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:27:42,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:27:42,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:27:42,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:27:42,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:27:42,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:27:42,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:27:42,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:27:42,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:27:42,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:27:42,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:27:42,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:27:42,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:27:42,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:27:42,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:27:42,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:27:42,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:27:42,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:27:42,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:27:42,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:27:42,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:27:42,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:27:42,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:27:42,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:27:42,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:27:43,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:27:43,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:27:43,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:27:43,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:27:43,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:27:43,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:27:43,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:27:43,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:27:43,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:27:43,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:27:43,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:27:43,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:27:43,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:27:43,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:27:43,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:27:43,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:27:43,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:27:43,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:27:43,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:27:43,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:27:43,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:27:43,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:27:43,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:27:43,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:27:43,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:27:43,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:27:43,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:27:43,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:27:43,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:27:43,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:27:43,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:27:43,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:27:43,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:27:43,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:27:43,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:27:43,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:27:43,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:27:43,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:27:43,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:27:43,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:27:43,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:27:43,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:27:43,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:27:43,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:27:43,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:27:43,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:27:43,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:27:43,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:27:43,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:27:43,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:27:43,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:27:43,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:27:43,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:27:43,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:27:43,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:27:43,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:27:43,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:27:43,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:27:43,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:27:43,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:27:43,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:27:43,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:27:43,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:27:43,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:27:43,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:27:43,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:27:43,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:27:43,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:27:43,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:27:43,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:27:43,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:27:43,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:27:43,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:27:43,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:27:43,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:27:43,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:27:43,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:27:43,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:27:43,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:27:43,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:27:43,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:27:43,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:27:43,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:27:43,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:27:43,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:27:43,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:27:43,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:27:43,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:27:43,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:27:43,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:27:43,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:27:43,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:27:43,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:27:43,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:27:43,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:27:43,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:27:43,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:27:43,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:27:43,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:27:43,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:27:43,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:27:43,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:27:43,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:27:43,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:27:43,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:27:43,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:27:43,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:27:43,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:27:43,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:27:43,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:27:43,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:27:43,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:27:43,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:27:43,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:27:43,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:27:43,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:27:43,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:27:43,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:27:43,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:27:43,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:27:43,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:27:43,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:27:43,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:27:43,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:27:43,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:27:43,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:27:43,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:27:43,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:27:43,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:27:43,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:27:43,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:27:43,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:27:43,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:27:43,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:27:43,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:27:43,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:27:43,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:27:43,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:27:43,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:27:43,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:27:43,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:27:43,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:27:43,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:27:43,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:27:43,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:27:43,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:27:43,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:27:43,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:27:43,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:27:43,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:27:43,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:27:43,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:27:43,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:27:43,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:27:43,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:27:43,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:27:43,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:27:43,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:27:43,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:27:43,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:27:43,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:27:43,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:27:43,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:27:43,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:27:43,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:27:43,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:27:43,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:27:43,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:27:43,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:27:43,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:27:43,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:27:43,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:27:43,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:27:43,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:27:43,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:27:43,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:27:43,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:27:43,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:27:43,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:27:43,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:27:43,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:27:43,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:27:43,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:27:43,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:27:43,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:27:43,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:27:43,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:27:43,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:27:43,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:27:43,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:27:43,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:27:43,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:27:43,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:27:43,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:27:43,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:27:43,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:27:43,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:27:43,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:27:43,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:27:43,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:27:43,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:27:43,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:27:43,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:27:43,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:27:43,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:27:43,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:27:43,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:27:43,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:27:43,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:27:43,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:27:43,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:27:43,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:27:43,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:27:43,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:27:43,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:27:43,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:27:43,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:27:43,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:27:43,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:27:43,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:27:43,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:27:43,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:27:43,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:27:43,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:27:43,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:27:43,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:27:43,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:27:43,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:27:43,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:27:43,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:27:43,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:27:43,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:27:43,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:27:43,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:27:43,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:27:43,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:27:43,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:27:43,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:27:43,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:27:43,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:27:43,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:27:43,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:27:43,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:27:43,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:27:43,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:27:43,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:27:43,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:27:43,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:27:43,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:27:43,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:27:43,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:27:43,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:27:43,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:27:43,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:27:43,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:27:43,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:27:43,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:27:43,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:27:43,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:27:43,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:27:43,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:27:43,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:27:43,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:27:43,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:27:43,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:27:43,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:27:43,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:27:43,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:27:43,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:27:43,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:27:43,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:27:43,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:27:43,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:27:43,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:27:43,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:27:43,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:27:43,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:27:43,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:27:43,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:27:43,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:27:43,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:27:43,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:27:43,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:27:43,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:27:43,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:27:43,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:27:43,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:27:43,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:27:43,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:27:43,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:27:43,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:27:43,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:27:43,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:27:43,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:27:43,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:27:43,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:27:43,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:27:43,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:27:43,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:27:43,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:27:43,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:27:43,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:27:43,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:27:43,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:27:43,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:27:43,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:27:43,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:27:43,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:27:43,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:27:43,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:27:43,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:27:43,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:27:43,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:27:43,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:27:43,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:27:43,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:27:43,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:27:43,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:27:43,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:27:43,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:27:43,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:27:43,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:27:43,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:27:43,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:27:43,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:27:43,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:27:43,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:27:43,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:27:43,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:27:43,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:27:43,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:27:43,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:27:43,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:27:43,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:27:43,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:27:43,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:27:43,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:27:43,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:27:43,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:27:43,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:27:43,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:27:43,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:27:43,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:27:43,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:27:43,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:27:43,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:27:43,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:27:43,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:27:43,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:27:43,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:27:43,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:27:43,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:27:43,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:27:43,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:27:43,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:27:43,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:27:43,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:27:43,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:27:43,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:27:43,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:27:43,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:27:43,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:27:43,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:27:43,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:27:43,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:27:43,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:27:43,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:27:43,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:27:43,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:27:43,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:27:43,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:27:43,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:27:43,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:27:43,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:27:43,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:27:43,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:27:43,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:27:43,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:27:43,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:27:43,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:27:43,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:27:43,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:27:43,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:27:43,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:27:43,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:27:43,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:27:43,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:27:43,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:27:43,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:27:43,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:27:43,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:27:43,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:27:43,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:27:43,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:27:43,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:27:43,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:27:43,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:27:43,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:27:43,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:27:43,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:27:43,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:27:43,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:27:43,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:27:43,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:27:43,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:27:43,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:27:43,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:27:43,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:27:43,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:27:43,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:27:43,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:27:43,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:27:43,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:27:43,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:27:43,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:27:43,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:27:43,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:27:43,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:27:43,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:27:43,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:27:43,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:27:43,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:27:43,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:27:43,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:27:43,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:27:43,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:27:43,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:27:43,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:27:43,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:27:43,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:27:43,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:27:43,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:27:43,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:27:43,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:27:43,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:27:43,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:27:43,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:27:43,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:27:43,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:27:43,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:27:43,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:27:43,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:27:43,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:27:43,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:27:43,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:27:43,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:27:43,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:27:43,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:27:43,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:27:43,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:27:43,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:27:43,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:27:43,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:27:43,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:27:43,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:27:43,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:27:43,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:27:43,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:27:43,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:27:43,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:27:43,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:27:43,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:27:43,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:27:43,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:27:43,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:27:43,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:27:43,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:27:43,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:27:43,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:27:43,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:27:43,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:27:43,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:27:43,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:27:43,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:27:43,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:27:43,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:27:43,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:27:43,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:27:43,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:27:43,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:27:43,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:27:43,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:27:43,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:27:43,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:27:43,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:27:43,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:27:43,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:27:43,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:27:43,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:27:43,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:27:43,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:27:43,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:27:43,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:27:43,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:27:43,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:27:43,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:27:43,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:27:43,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:27:43,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:27:43,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:27:43,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:27:43,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:27:43,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:27:43,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:27:43,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:27:43,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:27:43,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:27:43,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:27:43,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:27:43,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:27:43,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:27:43,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:27:44,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:27:44,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:27:44,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:27:44,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:27:44,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:27:44,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:27:44,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:27:44,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:27:44,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:27:44,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:27:44,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:27:44,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:27:44,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:27:44,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:27:44,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:27:44,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:27:44,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:27:44,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:27:44,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:27:44,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:27:44,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:27:44,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:27:44,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:27:44,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:27:44,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:27:44,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:27:44,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:27:44,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:27:44,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:27:44,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:27:44,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:27:44,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:27:44,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:27:44,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:27:44,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:27:44,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:27:44,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:27:44,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:27:44,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:27:44,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:27:44,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:27:44,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:27:44,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:27:44,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:27:44,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:27:44,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:27:44,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:27:44,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:27:44,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:27:44,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:27:44,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:27:44,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:27:44,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:27:44,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:27:44,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:27:44,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:27:44,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:27:44,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:27:44,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:27:44,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:27:44,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:27:44,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:27:44,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:27:44,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:27:44,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:27:44,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:27:44,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:27:44,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:27:44,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:27:44,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:27:44,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:27:44,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:27:44,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:27:44,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:27:44,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:27:44,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:27:44,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:27:44,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:27:44,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:27:44,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:27:44,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:27:44,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:27:44,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:27:44,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:27:44,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:27:44,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:27:44,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:27:44,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:27:44,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:27:44,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:27:44,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:27:44,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:27:44,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:27:44,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:27:44,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:27:44,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:27:44,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:27:44,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:27:44,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:27:44,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:27:44,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:27:44,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:27:44,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:27:44,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:27:44,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:27:44,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:27:44,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:27:44,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:27:44,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:27:44,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:27:44,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:27:44,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:27:44,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:27:44,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:27:44,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:27:44,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:27:44,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:27:44,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:27:44,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:27:44,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:27:44,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:27:44,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:27:44,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:27:44,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:27:44,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:27:44,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:27:44,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:27:44,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:27:44,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:27:44,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:27:44,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:27:44,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:27:44,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:27:44,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:27:44,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:27:44,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:27:44,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:27:44,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:27:44,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:27:44,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:27:44,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:27:44,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:27:44,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:27:44,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:27:44,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:27:44,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:27:44,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:27:44,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:27:44,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:27:44,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:27:44,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:27:44,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:27:44,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:27:44,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:27:44,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:27:44,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:27:44,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:27:44,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:27:44,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:27:44,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:27:44,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:27:44,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:27:44,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:27:44,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:27:44,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:27:44,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:27:44,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:27:44,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:27:44,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:27:44,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:27:44,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:27:44,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:27:44,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:27:44,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:27:44,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:27:44,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:27:44,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:27:44,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:27:44,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:27:44,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:27:44,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:27:44,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:27:44,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:27:44,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:27:44,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:27:44,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:27:44,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:27:44,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:27:44,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:27:44,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:27:44,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:27:44,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:27:44,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:27:44,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:27:44,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:27:44,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:27:44,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:27:44,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:27:44,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:27:44,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:27:44,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:27:44,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:27:44,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:27:44,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:27:44,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:27:44,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:27:44,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:27:44,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:27:44,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:27:44,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:27:44,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:27:44,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:27:44,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:27:44,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:27:44,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:27:44,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:27:44,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:27:44,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:27:44,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:27:44,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:27:44,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:27:44,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:27:44,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:27:44,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:27:44,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:27:44,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:27:44,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:27:44,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:27:44,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:27:44,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:27:44,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:27:44,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:27:44,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:27:44,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:27:44,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:27:44,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:27:44,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:27:44,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:27:44,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:27:44,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:27:44,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:27:44,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:27:44,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:27:44,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:27:44,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:27:44,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:27:44,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:27:44,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:27:44,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:27:44,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:27:44,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:27:44,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:27:44,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:27:44,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:27:44,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:27:44,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:27:44,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:27:44,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:27:44,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:27:44,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:27:44,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:27:44,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:27:44,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:27:44,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:27:44,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:27:44,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:27:44,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:27:44,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:27:44,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:27:44,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:27:44,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:27:44,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:27:44,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:27:44,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:27:44,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:27:44,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:27:44,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:27:44,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:27:44,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:27:44,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:27:44,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:27:44,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:27:44,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:27:44,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:27:44,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:27:44,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:27:44,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:27:44,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:27:44,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:27:44,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:27:44,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:27:44,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:27:44,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:27:44,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:27:44,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:27:44,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:27:44,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:27:44,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:27:44,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:27:44,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:27:44,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:27:44,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:27:44,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:27:44,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:27:44,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:27:44,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:27:44,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:27:44,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:27:44,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:27:44,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:27:44,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:27:44,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:27:44,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:27:44,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:27:44,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:27:44,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:27:44,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:27:44,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:27:44,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:27:44,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:27:44,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:27:44,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:27:44,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:27:44,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:27:44,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:27:44,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:27:44,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:27:44,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:27:44,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:27:44,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:27:44,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:27:44,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:27:44,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:27:44,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:27:44,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:27:44,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:27:44,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:27:44,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:27:44,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:27:44,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:27:44,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:27:44,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:27:44,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:27:44,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:27:44,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:27:44,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:27:44,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:27:44,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:27:44,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:27:44,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:27:44,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:27:44,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:27:44,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:27:44,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:27:44,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:27:44,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:27:44,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:27:44,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:27:44,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:27:44,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:27:44,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:27:44,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:27:44,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:27:44,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:27:44,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:27:44,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:27:44,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:27:44,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:27:44,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:27:44,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:27:44,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:27:44,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:27:44,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:27:44,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:27:44,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:27:44,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:27:44,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:27:44,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:27:44,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:27:44,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:27:44,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:27:44,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:27:44,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:27:44,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:27:44,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:27:44,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:27:44,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:27:44,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:27:44,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:27:44,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:27:44,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:27:44,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:27:44,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:27:44,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:27:44,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:27:44,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:27:44,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:27:44,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:27:44,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:27:44,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:27:44,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:27:44,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:27:44,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:27:44,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:27:44,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:27:44,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:27:44,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:27:44,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:27:44,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:27:44,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:27:44,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:27:44,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:27:44,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:27:44,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:27:44,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:27:44,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:27:44,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:27:44,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:27:44,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:27:44,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:27:44,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:44,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:44,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:44,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:44,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:44,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:44,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:44,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:44,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:44,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:44,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:44,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:44,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:44,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:44,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:44,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:44,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:44,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:44,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:44,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:44,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:44,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:44,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:44,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:44,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:44,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:44,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:44,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:44,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:44,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:44,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:44,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:44,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:44,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:44,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:44,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:44,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:44,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:44,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:44,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:44,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:44,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:44,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:44,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:44,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:44,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:44,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:44,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:44,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:44,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:44,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:44,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:44,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:44,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:44,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:44,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:44,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:44,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:44,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:27:44,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:27:44,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:27:44,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:27:44,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:27:44,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:27:44,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:27:44,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:27:44,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:27:44,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:27:44,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:27:44,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:27:44,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:27:44,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:27:44,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:27:44,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:27:44,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:27:44,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:27:44,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:27:44,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:27:44,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:27:44,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:27:44,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:27:44,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:27:45,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:45,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:45,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:27:45,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:27:45,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:45,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:45,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:27:45,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:27:45,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:27:45,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:27:45,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:45,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:45,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:27:45,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:27:45,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:27:45,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:27:45,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:45,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:45,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:27:45,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:27:45,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:27:45,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:27:45,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:45,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:45,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:27:45,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:27:45,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:27:45,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:27:45,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:27:45,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:27:45,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:27:45,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:27:45,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:27:45,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:27:45,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:27:45,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:27:45,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:27:45,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:27:45,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:27:45,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:27:45,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:45,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:45,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:27:45,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:27:45,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:45,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:45,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:27:45,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:27:45,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:45,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:45,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:27:45,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:27:45,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:27:45,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:27:45,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:45,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:45,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:45,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:45,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:27:45,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:27:45,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:45,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:45,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:27:45,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:27:45,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:45,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:45,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:45,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:45,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:27:45,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:27:45,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:27:45,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:27:45,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:45,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:45,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:27:45,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:27:45,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:27:45,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:27:45,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:27:45,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:27:45,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:27:45,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:27:45,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:27:45,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:27:45,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:45,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:45,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:27:45,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:27:45,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:27:45,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:27:45,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:27:45,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:27:45,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:27:45,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:27:45,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:27:45,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:27:45,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:27:45,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:27:45,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:27:45,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:27:45,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:45,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:45,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:27:45,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:27:45,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:27:45,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:27:45,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:27:45,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:27:45,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:27:45,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:27:45,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:27:45,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:27:45,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:45,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:45,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:27:45,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:27:45,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:27:45,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:27:45,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:27:45,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:27:45,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:27:45,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:27:45,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:27:45,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:27:45,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:27:45,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:27:45,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:45,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:45,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:27:45,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:27:45,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:27:45,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:27:45,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:45,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:45,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:45,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:45,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:45,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:45,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:27:45,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:27:45,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:27:45,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:27:45,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:27:45,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:27:45,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:27:45,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:27:45,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:45,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:45,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:27:45,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:27:45,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:27:45,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:27:45,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:45,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:45,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:45,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:45,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:27:45,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:27:45,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:27:45,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:27:45,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:27:45,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:27:45,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:45,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:45,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:27:45,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:27:45,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:45,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:45,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:27:45,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:27:45,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:27:45,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:27:45,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:27:45,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:27:45,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:27:45,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:27:45,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:27:45,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:27:45,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:27:45,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:27:45,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:27:45,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:27:45,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:27:45,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:27:45,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:45,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:45,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:27:45,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:27:45,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:45,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:45,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:27:45,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:27:45,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:27:45,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:27:45,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:45,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:45,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:27:45,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:27:45,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:45,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:45,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:27:45,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:27:45,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:45,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:45,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:27:45,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:27:45,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:45,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:45,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:27:45,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:27:45,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:27:45,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:27:45,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:27:45,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:27:45,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:27:45,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:27:45,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:27:45,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:27:45,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:45,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:45,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:45,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:45,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:27:45,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:27:45,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:45,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:45,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:27:45,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:27:45,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:27:45,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:27:45,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:27:45,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:27:45,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:45,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:45,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:45,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:45,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:27:45,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:27:45,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:27:45,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:27:45,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:27:45,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:27:45,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:27:45,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:27:45,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:27:45,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:27:45,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:27:45,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:27:45,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:27:45,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:27:45,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:45,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:45,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:27:45,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:27:45,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:45,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:45,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:27:45,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:27:45,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:27:45,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:27:45,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:27:45,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:27:45,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:45,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:45,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:27:45,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:27:45,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:27:45,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:27:45,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:45,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:45,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:27:45,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:27:45,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:27:45,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:27:45,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:27:45,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:27:45,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:45,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:45,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:45,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:45,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:27:45,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:27:45,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:27:45,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:27:45,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:27:45,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:27:45,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:27:45,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:27:45,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:27:45,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:27:45,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:27:45,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:27:45,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:27:45,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:27:45,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:27:45,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:27:45,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:27:45,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:27:45,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:27:45,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:27:45,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:27:45,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:27:45,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:27:45,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:27:45,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:27:45,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:27:45,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:27:45,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:27:45,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:27:45,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:27:45,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:27:45,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:27:45,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:27:45,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:27:45,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:27:45,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:27:45,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:27:45,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:27:45,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:27:45,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:27:45,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:27:45,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:27:45,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:27:45,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:27:45,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:27:45,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:27:45,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:27:45,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:27:45,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:27:45,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:27:45,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:27:45,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:27:45,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:27:45,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:27:45,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:27:45,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:27:45,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:27:45,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:27:45,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:27:45,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:27:45,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:27:45,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:27:45,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:27:45,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:27:45,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:27:45,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:27:45,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:27:45,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:27:45,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:27:45,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:27:45,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:27:45,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:27:45,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:27:45,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:27:45,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:45,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:45,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:45,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:45,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:45,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:45,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:27:45,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:27:45,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:45,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:45,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:45,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:45,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:45,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:45,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:45,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:45,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:45,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:45,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:27:45,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:27:45,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:45,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:45,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:45,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:45,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:45,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:45,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:45,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:45,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:45,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:45,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:45,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:45,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:45,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:45,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:45,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:45,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:45,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:45,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:45,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:45,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:45,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:45,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:45,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:45,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:45,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:45,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:45,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:45,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:45,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:45,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:45,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:45,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:45,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:45,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:45,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:45,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:45,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:45,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:45,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:45,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:45,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:45,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:45,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:45,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:45,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:45,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:45,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:45,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:27:45,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:27:45,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:45,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:45,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:45,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:45,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:45,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:45,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:27:45,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:27:45,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:27:45,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:27:45,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:45,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:45,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:45,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:45,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:45,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:45,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:45,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:45,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:45,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:45,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:45,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:45,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:45,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:45,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:45,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:45,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:45,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:45,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:45,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:45,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:45,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:45,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:45,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:45,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:45,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:45,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:45,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:45,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:45,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:45,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:45,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:45,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:45,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:45,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:27:45,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:27:45,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:45,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:45,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:27:45,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:27:45,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:27:45,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:27:45,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:27:45,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:27:45,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:27:45,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:27:45,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:27:45,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:27:45,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:27:45,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:27:45,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:27:45,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:27:45,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:27:45,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:27:45,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:27:45,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:27:45,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:27:45,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:27:45,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:27:45,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:27:45,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:27:45,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:27:45,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:27:45,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:27:45,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:27:45,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:27:45,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:45,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:45,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:27:45,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:27:45,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:27:45,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:27:45,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:27:45,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:27:45,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:45,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:45,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:27:45,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:27:45,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:27:45,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:27:45,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:27:45,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:27:45,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:27:45,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:27:45,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:27:45,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:27:45,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:45,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:45,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:45,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:45,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:45,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:45,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:45,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:45,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:45,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:45,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:46,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:46,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:46,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:46,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:46,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:46,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:27:46,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:27:46,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:27:46,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:27:46,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:46,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:46,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:46,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:46,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:27:46,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:27:46,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:46,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:46,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:46,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:46,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:27:46,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:27:46,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:46,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:46,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:46,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:46,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:46,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:46,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:46,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:46,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:46,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:46,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:46,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:46,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:27:46,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:27:46,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:27:46,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:27:46,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:46,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:46,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:46,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:46,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:27:46,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:27:46,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:46,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:46,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:27:46,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:27:46,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:27:46,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:27:46,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:27:46,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:27:46,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:27:46,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:27:46,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:27:46,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:27:46,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:27:46,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:27:46,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:27:46,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:27:46,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:27:46,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:27:46,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:27:46,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:27:46,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:27:46,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:27:46,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:27:46,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:27:46,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:27:46,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:27:46,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:27:46,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:27:46,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:27:46,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:27:46,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:27:46,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:27:46,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:27:46,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:27:46,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:27:46,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:27:46,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:27:46,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:27:46,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:27:46,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:27:46,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:27:46,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:27:46,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:27:46,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:27:46,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:27:46,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:27:46,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:27:46,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:27:46,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:27:46,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:27:46,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:27:46,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:27:46,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:27:46,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:27:46,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:27:46,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:27:46,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:27:46,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:27:46,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:27:46,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:27:46,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:27:46,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:27:46,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:27:46,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:27:46,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:27:46,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:27:46,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:27:46,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:27:46,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:27:46,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:27:46,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:27:46,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:27:46,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:27:46,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:27:46,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:27:46,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:27:46,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:27:46,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:27:46,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:27:46,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:27:46,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:27:46,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:27:46,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:27:46,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:27:46,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:27:46,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:27:46,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:27:46,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:27:46,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:46,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:46,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:46,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:46,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:46,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:46,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:46,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:46,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:46,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:46,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:46,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:46,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:46,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:46,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:46,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:46,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:46,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:46,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:46,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:46,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:46,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:46,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:46,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:46,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:46,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:46,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:46,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:46,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:46,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:46,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:46,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:46,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:46,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:46,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:46,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:46,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:46,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:46,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:46,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:46,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:46,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:46,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:46,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:46,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:46,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:46,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:46,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:46,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:46,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:46,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:46,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:46,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:46,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:46,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:27:46,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:27:46,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:27:46,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:27:46,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:27:46,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:27:46,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:27:46,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:27:46,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:27:46,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:27:46,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:27:46,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:27:46,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:27:46,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:27:46,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:27:46,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:27:46,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:27:46,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:27:46,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:27:46,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:27:46,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:27:46,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:27:46,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:27:46,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:27:46,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:27:46,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:27:46,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:27:46,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:27:46,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:27:46,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:27:46,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:27:46,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:27:46,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:27:46,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:27:46,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:27:46,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:27:46,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:27:46,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:27:46,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:27:46,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:27:46,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:27:46,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:27:46,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:27:46,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:27:46,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:27:46,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:27:46,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:27:46,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:27:46,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:27:46,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:27:46,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:27:46,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:27:46,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:27:46,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:27:46,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:27:46,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:27:46,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:27:46,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:27:46,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:27:46,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:27:46,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:27:46,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:27:46,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:27:46,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:27:46,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:27:46,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:27:46,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:27:46,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:27:46,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:27:46,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:27:46,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:27:46,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:27:46,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:27:46,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:27:46,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:27:46,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:27:46,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:27:46,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:27:46,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:27:46,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:27:46,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:27:46,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:27:46,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:46,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:46,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:46,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:46,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:46,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:46,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:46,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:46,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:46,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:46,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:46,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:46,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:46,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:46,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:46,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:46,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:27:46,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:27:46,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:46,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:46,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:46,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:46,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:46,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:46,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:46,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:46,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:46,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:46,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:46,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:46,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:46,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:46,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:46,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:46,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:46,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:46,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:46,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:46,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:46,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:46,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:46,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:46,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:46,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:46,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:46,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:46,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:27:46,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:27:46,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:46,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:46,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:46,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:46,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:46,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:46,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:46,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:46,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:46,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:46,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:46,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:46,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:46,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:46,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:46,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:46,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:46,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:46,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:46,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:46,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:46,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:46,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:46,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:46,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:46,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:46,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:46,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:46,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:46,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:46,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:46,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:46,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:46,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:46,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:46,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:46,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:46,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:46,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:46,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:46,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:46,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:46,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:46,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:46,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:46,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:46,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:46,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:46,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:46,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:46,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:46,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:46,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:27:46,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:27:46,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:27:46,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:27:46,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:27:46,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:27:46,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:27:46,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:27:46,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:46,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:46,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:27:46,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:27:46,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:27:46,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:27:46,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:27:46,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:27:46,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:27:46,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:27:46,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:27:46,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:27:46,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:27:46,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:27:46,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:27:46,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:27:46,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:27:46,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:27:46,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:27:46,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:27:46,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:27:46,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:27:46,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:27:46,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:27:46,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:27:46,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:27:46,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:27:46,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:27:46,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:27:46,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:27:46,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:27:46,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:27:46,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:27:46,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:27:46,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:27:46,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:27:46,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:27:46,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:27:46,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:27:46,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:27:46,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:27:46,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:27:46,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:27:46,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:27:46,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:27:46,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:27:46,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:27:46,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:27:46,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:27:46,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:27:46,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:27:46,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:27:46,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:27:46,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:27:46,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:27:46,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:27:46,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:27:46,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:27:46,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:27:46,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:27:46,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:27:46,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:27:46,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:27:46,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:27:46,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:27:46,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:27:46,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:27:46,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:27:46,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:46,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:46,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:46,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:46,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:27:46,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:27:46,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:27:46,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:27:46,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:46,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:46,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:46,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:46,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:46,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:46,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:46,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:46,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:46,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:46,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:27:46,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:27:46,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:46,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:46,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:46,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:46,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:46,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:46,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:46,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:46,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:46,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:46,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:46,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:46,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:46,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:46,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:46,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:46,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:46,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:46,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:46,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:46,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:27:46,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:27:46,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:46,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:46,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:46,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:46,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:46,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:46,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:46,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:46,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:46,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:47,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:47,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:47,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:47,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:47,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:27:47,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:27:47,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:47,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:47,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:47,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:47,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:27:47,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:27:47,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:47,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:47,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:47,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:47,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:47,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:47,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:27:47,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:27:47,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:47,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:47,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:47,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:47,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:47,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:47,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:47,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:47,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:27:47,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:27:47,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:27:47,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:27:47,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:47,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:47,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:47,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:47,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:27:47,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:27:47,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:47,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:47,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:47,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:47,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:47,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:47,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:27:47,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:27:47,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:47,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:47,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:47,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:47,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:27:47,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:27:47,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:27:47,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:27:47,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:27:47,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:27:47,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:47,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:47,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:27:47,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:27:47,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:27:47,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:27:47,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:27:47,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:27:47,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:27:47,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:27:47,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:27:47,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:27:47,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:27:47,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:27:47,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:27:47,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:27:47,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:27:47,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:27:47,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:27:47,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:27:47,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:47,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:47,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:47,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:47,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:27:47,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:27:47,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:27:47,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:27:47,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:27:47,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:27:47,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:27:47,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:27:47,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:27:47,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:27:47,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:27:47,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:27:47,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:27:47,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:27:47,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:27:47,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:27:47,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:27:47,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:27:47,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:27:47,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:27:47,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:27:47,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:27:47,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:27:47,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:27:47,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:27:47,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:27:47,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:27:47,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:27:47,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:27:47,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:27:47,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:27:47,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:27:47,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:27:47,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:27:47,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:27:47,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:27:47,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:27:47,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:27:47,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:27:47,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:27:47,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:27:47,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:27:47,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:27:47,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:27:47,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:27:47,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:27:47,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:27:47,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:27:47,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:27:47,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:27:47,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:47,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:47,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:47,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:47,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:47,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:47,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:47,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:47,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:27:47,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:27:47,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:27:47,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:27:47,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:27:47,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:27:47,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:27:47,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:27:47,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:27:47,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:27:47,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:27:47,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:27:47,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:27:47,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:27:47,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:27:47,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:27:47,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:27:47,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:27:47,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:27:47,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:27:47,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:27:47,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:27:47,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:27:47,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:27:47,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:27:47,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:27:47,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:27:47,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:27:47,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:27:47,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:27:47,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:27:47,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:27:47,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:27:47,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:27:47,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:27:47,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:27:47,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:27:47,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:27:47,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:27:47,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:27:47,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:27:47,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:27:47,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:27:47,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:27:47,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:27:47,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:27:47,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:27:47,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:27:47,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:27:47,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:27:47,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:27:47,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:27:47,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:27:47,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:27:47,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:27:47,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:27:47,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:27:47,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:27:47,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:27:47,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:27:47,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:27:47,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:27:47,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:27:47,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:27:47,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:27:47,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:27:47,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:27:47,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:27:47,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:27:47,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:27:47,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:27:47,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:27:47,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:27:47,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:27:47,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:27:47,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:27:47,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:27:47,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:27:47,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:27:47,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:27:47,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:27:47,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:27:47,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:27:47,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:27:47,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:27:47,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:27:47,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:27:47,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:27:47,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:27:47,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:27:47,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:27:47,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:27:47,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:27:47,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:27:47,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:27:47,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:27:47,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:27:47,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:27:47,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:27:47,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:27:47,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:27:47,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:27:47,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:27:47,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:27:47,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:27:47,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:27:47,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:27:47,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:27:47,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:27:47,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:27:47,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:27:47,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:27:47,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:27:47,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:27:47,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:27:47,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:27:47,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:27:47,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:27:47,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:27:47,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:27:47,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:27:47,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:27:47,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:27:47,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:27:47,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:27:47,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:27:47,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:27:47,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:27:47,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:27:47,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:27:47,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:27:47,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:27:47,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:27:47,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:27:47,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:27:47,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:27:47,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:27:47,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:27:47,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:27:47,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:27:47,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:27:47,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:27:47,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:27:47,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:27:47,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:27:47,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:27:47,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:27:47,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:27:47,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:27:47,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:27:47,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:27:47,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:27:47,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:27:47,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:27:47,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:27:47,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:27:47,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:27:47,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:27:47,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:27:47,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:27:47,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:27:47,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:27:47,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:27:47,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:27:47,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:27:47,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:27:47,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:27:47,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:27:47,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:27:47,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:27:47,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:27:47,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:27:47,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:27:47,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:27:47,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:27:47,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:27:47,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:27:47,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:27:47,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:27:47,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:27:47,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:27:47,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:27:47,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:27:47,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:27:47,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:27:47,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:27:47,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:27:47,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:27:47,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:27:47,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:27:47,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:27:47,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:27:47,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:27:47,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:27:47,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:27:47,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:27:47,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:27:47,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:27:47,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:27:47,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:27:47,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:27:47,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:27:47,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:27:47,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:27:47,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:27:47,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:27:47,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:47,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:47,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:27:47,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:27:47,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:27:47,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:27:47,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:27:47,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:27:47,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:27:47,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:27:47,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:27:47,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:27:47,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:47,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:47,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:27:47,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:27:47,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:27:47,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:27:47,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:27:47,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:27:47,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:27:47,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:27:47,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:27:47,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:27:47,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:27:47,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:27:47,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:27:47,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:27:47,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:27:47,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:27:47,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:47,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:47,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:27:47,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:27:47,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:27:47,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:27:47,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:47,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:47,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:27:47,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:27:47,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:27:47,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:27:47,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:47,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:47,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:27:47,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:27:47,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:47,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:47,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:47,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:47,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:47,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:47,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:27:47,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:27:47,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:47,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:47,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:47,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:47,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:27:47,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:27:47,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:27:47,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:27:47,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:47,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:47,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:27:47,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:27:47,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:27:47,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:27:47,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:27:47,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:27:47,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:27:47,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:27:47,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:47,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:47,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:47,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:47,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:27:47,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:27:47,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:27:47,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:27:47,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:27:47,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:27:47,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:27:47,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:27:47,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:27:47,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:27:47,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:27:47,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:27:47,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:27:47,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:27:47,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:27:47,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:27:47,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:27:47,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:27:47,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:27:47,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:27:47,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:27:47,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:27:47,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:27:47,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:27:47,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:27:47,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:27:47,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:27:47,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:27:47,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:27:47,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:27:47,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:27:47,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:27:47,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:27:47,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:27:47,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:27:47,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:27:47,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:27:47,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:27:47,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:27:47,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:27:47,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:27:47,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:27:47,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:27:47,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:27:47,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:27:47,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:27:47,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:27:47,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:27:47,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:27:47,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:27:47,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:27:47,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:27:47,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:27:47,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:27:47,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:27:47,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:27:47,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:27:47,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:27:47,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:27:47,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:27:47,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:27:47,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:27:47,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:27:47,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:27:47,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:27:47,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:27:47,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:27:47,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:27:47,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:27:47,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:27:47,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:27:47,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:27:47,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:27:47,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:27:47,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:27:47,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:27:47,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:27:47,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:27:47,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:27:47,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:27:47,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:27:47,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:27:47,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:27:47,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:27:47,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:27:47,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:27:47,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:27:47,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:27:47,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:27:47,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:27:47,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:27:47,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:27:47,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:27:47,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:27:47,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:27:47,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:27:47,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:27:47,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:27:47,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:27:47,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:27:47,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:27:47,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:27:47,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:27:47,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:27:47,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:27:47,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:27:47,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:27:47,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:27:47,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:27:47,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:27:47,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:27:47,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:27:47,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:27:47,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:27:48,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:27:48,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:27:48,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:27:48,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:27:48,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:27:48,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:27:48,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:27:48,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:27:48,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:27:48,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:27:48,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:27:48,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:27:48,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:27:48,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:27:48,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:27:48,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:27:48,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:27:48,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:27:48,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:27:48,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:27:48,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:27:48,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:27:48,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:27:48,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:27:48,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:27:48,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:27:48,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:27:48,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:27:48,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:27:48,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:27:48,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:27:48,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:27:48,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:27:48,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:27:48,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:27:48,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:27:48,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:27:48,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:27:48,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:27:48,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:27:48,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:27:48,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:27:48,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:27:48,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:27:48,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:27:48,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:27:48,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:27:48,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:27:48,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:27:48,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:27:48,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:27:48,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:27:48,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:27:48,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:27:48,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:27:48,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:27:48,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:27:48,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:27:48,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:27:48,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:27:48,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:27:48,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:27:48,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:27:48,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:27:48,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:27:48,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:27:48,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:27:48,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:27:48,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:27:48,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:27:48,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:27:48,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:27:48,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:27:48,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:27:48,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:27:48,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:27:48,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:27:48,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:27:48,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:27:48,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:27:48,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:27:48,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:27:48,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:27:48,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:27:48,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:27:48,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:27:48,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:27:48,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:27:48,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:27:48,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:27:48,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:27:48,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:27:48,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:27:48,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:27:48,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:27:48,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:27:48,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:27:48,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:27:48,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:27:48,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:27:48,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:27:48,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:27:48,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:27:48,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:27:48,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:27:48,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:27:48,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:27:48,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:27:48,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:27:48,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:27:48,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:27:48,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:27:48,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:27:48,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:27:48,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:27:48,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:27:48,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:27:48,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:27:48,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:27:48,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:27:48,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:27:48,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:27:48,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:27:48,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:27:48,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:27:48,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:27:48,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:27:48,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:27:48,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:27:48,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:27:48,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:27:48,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:27:48,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:27:48,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:27:48,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:27:48,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:27:48,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:27:48,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:27:48,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:27:48,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:27:48,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:27:48,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:27:48,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:27:48,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:27:48,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:27:48,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:27:48,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:27:48,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:27:48,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:27:48,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:27:48,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:27:48,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:27:48,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:27:48,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:27:48,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:27:48,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:27:48,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:27:48,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:27:48,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:27:48,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:27:48,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:27:48,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:27:48,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:27:48,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:27:48,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:27:48,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:27:48,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:27:48,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:27:48,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:27:48,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:27:48,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:27:48,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:27:48,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:27:48,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:27:48,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:27:48,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:27:48,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:27:48,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:27:48,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:27:48,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:27:48,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:27:48,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:27:48,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:27:48,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:27:48,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:27:48,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:27:48,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:27:48,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:27:48,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:27:48,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:27:48,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:27:48,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:27:48,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:27:48,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:27:48,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:27:48,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:27:48,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:27:48,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:27:48,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:27:48,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:27:48,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:27:48,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:27:48,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:27:48,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:27:48,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:27:48,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:27:48,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:27:48,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:27:48,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:27:48,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:27:48,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:27:48,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:27:48,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:27:48,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:27:48,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:27:48,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:27:48,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:27:48,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:27:48,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:27:48,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:27:48,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:27:48,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:27:48,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:27:48,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:27:48,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:27:48,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:27:48,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:27:48,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:27:48,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:27:48,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:27:48,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:27:48,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:27:48,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:27:48,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:27:48,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:27:48,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:27:48,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:27:48,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:27:48,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:27:48,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:27:48,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:27:48,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:27:48,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:27:48,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:27:48,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:27:48,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:27:48,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:27:48,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:27:48,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:27:48,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:27:48,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:27:48,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:27:48,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:27:48,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:27:48,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:27:48,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:27:48,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:27:48,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:27:48,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:27:48,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:27:48,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:27:48,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:27:48,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:27:48,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:27:48,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:27:48,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:27:48,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:27:48,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:27:48,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:27:48,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:27:48,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:27:48,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:27:48,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:27:48,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:27:48,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:27:48,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:27:48,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:27:48,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:27:48,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:27:48,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:27:48,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:27:48,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:27:48,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:27:48,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:27:48,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:27:48,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:27:48,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:27:48,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:27:48,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:27:48,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:27:48,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:27:48,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:27:48,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:27:48,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:27:48,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:27:48,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:27:48,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:27:48,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:27:48,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:27:48,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:27:48,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:27:48,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:27:48,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:27:48,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:27:48,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:27:48,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:27:48,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:27:48,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:27:48,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:27:48,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:27:48,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:27:48,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:27:48,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:27:48,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:27:48,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:27:48,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:27:48,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:27:48,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:27:48,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:27:48,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:27:48,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:27:48,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:27:48,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:27:48,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:27:48,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:27:48,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:27:48,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:27:48,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:27:48,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:27:48,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:27:48,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:27:48,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:27:48,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:27:48,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:27:48,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:27:48,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:27:48,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:27:48,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:27:48,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:27:48,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:27:48,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:27:48,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:27:48,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:27:48,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:27:48,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:27:48,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:27:48,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:27:48,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:27:48,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:27:48,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:27:48,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:27:48,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:27:48,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:27:48,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:27:48,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:27:48,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:27:48,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:27:48,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:27:48,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:27:48,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:27:48,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:27:48,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:27:48,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:27:48,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:27:48,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:27:48,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:27:48,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:27:48,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:27:48,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:27:48,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:27:48,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:27:48,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:27:48,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:27:48,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:27:48,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:27:48,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:27:48,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:27:48,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:27:48,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:27:48,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:27:48,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:27:48,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:27:48,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:27:48,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:27:48,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:27:48,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:27:48,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:27:48,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:27:48,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:27:48,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:27:48,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:27:48,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:27:48,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:27:48,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:27:48,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:27:48,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:27:48,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:27:48,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:27:48,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:27:48,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:27:48,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:27:48,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:27:48,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:27:48,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:27:48,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:27:48,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:27:48,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:27:48,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:27:48,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:27:48,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:27:48,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:27:48,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:27:48,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:27:48,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:27:48,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:27:48,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:27:48,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:27:48,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:27:48,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:27:48,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:27:48,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:27:48,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:27:48,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:27:48,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:27:48,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:27:48,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:27:48,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:27:48,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:27:48,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:27:48,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:27:48,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:27:48,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:27:48,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:27:48,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:27:48,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:27:48,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:27:48,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:27:48,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:27:48,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:27:48,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:27:48,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:27:48,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:27:48,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:27:48,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:27:48,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:27:48,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:27:48,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:27:48,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:27:48,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:27:48,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:27:48,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:27:48,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:27:48,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:27:48,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:27:48,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:27:48,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:27:48,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:27:48,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:27:48,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:27:48,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:27:48,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:27:48,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:27:48,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:27:48,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:27:48,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:27:48,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:27:48,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:27:48,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:27:48,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:27:48,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:27:48,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:27:48,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:27:48,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:27:48,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:27:48,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:27:48,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:27:48,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:27:48,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:27:48,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:27:48,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:27:48,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:27:48,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:27:48,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:27:48,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:27:48,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:27:48,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:27:48,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:27:48,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:27:48,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:27:48,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:27:48,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:27:48,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:27:48,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:27:48,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:27:48,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:27:48,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:27:48,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:27:48,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:27:48,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:27:48,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:27:48,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:27:48,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:27:48,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:27:48,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:27:48,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:27:48,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:27:48,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:27:48,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:27:48,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:27:48,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:27:48,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:27:48,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:27:48,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:27:48,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:27:48,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:27:48,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:27:48,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:27:48,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:27:48,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:27:48,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:27:48,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:27:48,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:27:48,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:27:48,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:27:48,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:27:48,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:27:48,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:27:48,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:27:48,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:27:48,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:27:48,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:27:48,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:27:48,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:27:48,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:27:48,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:27:48,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:27:48,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:27:48,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:27:48,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:27:48,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:27:48,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:27:48,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:27:48,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:27:48,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:27:48,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:27:48,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:27:49,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:27:49,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:27:49,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:27:49,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:27:49,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:27:49,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:27:49,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:27:49,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:27:49,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:27:49,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:27:49,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:27:49,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:27:49,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:27:49,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:27:49,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:27:49,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:27:49,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:27:49,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:27:49,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:27:49,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:27:49,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:27:49,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:27:49,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:27:49,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:27:49,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:27:49,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:27:49,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:27:49,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:27:49,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:27:49,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:27:49,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:27:49,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:27:49,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:27:49,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:27:49,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:27:49,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:27:49,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:27:49,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:27:49,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:27:49,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:27:49,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:27:49,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:27:49,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:27:49,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:27:49,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:27:49,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:27:49,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:27:49,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:27:49,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:27:49,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:27:49,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:27:49,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:27:49,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:27:49,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:27:49,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:27:49,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:27:49,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:27:49,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:27:49,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:27:49,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:27:49,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:27:49,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:27:49,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:27:49,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:27:49,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:27:49,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:27:49,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:27:49,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:27:49,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:27:49,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:27:49,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:27:49,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:27:49,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:27:49,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:27:49,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:27:49,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:27:49,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:27:49,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:27:49,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:27:49,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:27:49,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:27:49,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:27:49,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:27:49,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:27:49,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:27:49,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:27:49,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:27:49,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:27:49,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:27:49,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:27:49,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:27:49,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:27:49,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:27:49,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:27:49,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:27:49,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:27:49,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:27:49,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:27:49,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:27:49,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:27:49,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:27:49,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:27:49,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:27:49,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:27:49,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:27:49,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:27:49,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:27:49,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:27:49,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:27:49,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:27:49,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:27:49,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:27:49,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:27:49,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:27:49,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:27:49,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:27:49,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:27:49,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:27:49,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:27:49,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:27:49,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:27:49,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:27:49,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:27:49,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:27:49,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:27:49,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:27:49,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:27:49,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:27:49,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:27:49,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:27:49,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:27:49,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:27:49,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:27:49,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:27:49,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:27:49,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:27:49,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:27:49,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:27:49,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:27:49,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:27:49,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:27:49,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:27:49,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:27:49,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:27:49,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:27:49,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:27:49,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:27:49,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:27:49,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:27:49,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:27:49,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:27:49,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:27:49,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:27:49,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:27:49,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:27:49,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:27:49,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:27:49,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:27:49,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:27:49,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:27:49,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:27:49,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:27:49,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:27:49,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:27:49,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:27:49,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:27:49,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:27:49,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:27:49,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:27:49,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:27:49,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:27:49,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:27:49,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:27:49,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:27:49,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:27:49,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:27:49,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:27:49,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:27:49,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:27:49,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:27:49,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:27:49,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:27:49,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:27:49,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:27:49,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:27:49,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:27:49,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:27:49,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:27:49,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:27:49,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:27:49,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:27:49,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:27:49,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:27:49,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:27:49,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:27:49,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:27:49,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:27:49,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:27:49,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:27:49,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:27:49,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:27:49,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:27:49,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:27:49,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:27:49,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:27:49,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:27:49,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:27:49,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:27:49,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:27:49,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:27:49,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:27:49,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:27:49,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:27:49,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:27:49,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:27:49,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:27:49,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:27:49,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:27:49,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:27:49,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:27:49,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:27:49,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:27:49,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:27:49,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:27:49,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:27:49,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:27:49,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:27:49,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:27:49,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:27:49,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:27:49,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:27:49,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:27:49,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:27:49,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:27:49,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:27:49,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:27:49,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:27:49,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:27:49,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:27:49,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:27:49,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:27:49,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:27:49,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:27:49,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:27:49,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:27:49,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:27:49,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:27:49,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:27:49,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:27:49,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:27:49,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:27:49,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:27:49,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:27:49,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:27:49,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:27:49,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:27:49,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:27:49,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:27:49,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:27:49,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:27:49,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:27:49,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:27:49,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:27:49,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:27:49,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:27:49,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:27:49,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:27:49,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:27:49,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:27:49,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:27:49,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:27:49,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:27:49,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:27:49,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:27:49,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:27:49,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:27:49,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:27:49,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:27:49,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:27:49,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:27:49,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:27:49,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:27:49,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:27:49,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:27:49,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:27:49,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:27:49,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:27:49,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:27:49,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:27:49,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:27:49,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:27:49,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:27:49,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:27:49,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:27:49,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:27:49,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:27:49,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:27:49,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:27:49,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:27:49,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:27:49,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:27:49,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:27:49,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:27:49,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:27:49,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:27:49,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:27:49,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:27:49,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:27:49,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:27:49,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:27:49,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:27:49,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:27:49,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:27:49,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:27:49,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:27:49,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:27:49,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:27:49,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:27:49,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:27:49,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:27:49,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:27:49,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:27:49,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:27:49,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:27:49,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:27:49,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:27:49,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:27:49,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:27:49,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:27:49,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:27:49,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:27:49,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:27:49,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:27:49,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:27:49,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:27:49,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:27:49,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:27:49,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:27:49,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:27:49,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:27:49,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:27:49,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:27:49,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:27:49,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:27:49,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:27:49,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:27:49,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:27:49,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:27:49,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:27:49,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:27:49,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:27:49,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:27:49,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:27:49,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:27:49,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:27:49,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:27:49,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:27:49,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:27:49,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:27:49,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:27:49,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:27:49,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:27:49,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:27:49,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:27:49,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:27:49,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:27:49,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:27:49,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:27:49,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:27:49,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:27:49,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:27:49,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:27:49,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:27:49,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:27:49,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:27:49,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:27:49,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:27:49,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:27:49,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:27:49,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:27:49,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:27:49,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:27:49,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:27:49,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:27:49,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:27:49,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:27:49,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:27:49,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:27:49,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:27:49,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:27:49,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:27:49,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:27:49,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:27:49,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:27:49,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:27:49,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:27:49,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:27:49,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:27:49,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:27:49,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:27:49,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:27:49,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:27:49,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:27:49,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:27:49,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:27:49,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:27:49,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:27:49,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:27:49,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:27:49,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:27:49,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:27:49,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:27:49,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:27:49,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:27:49,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:27:49,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:27:49,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:27:49,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:27:49,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:27:49,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:27:49,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:27:49,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:27:49,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:27:49,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:27:49,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:27:49,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:27:49,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:27:49,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:27:49,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:27:49,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:27:49,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:27:49,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:27:49,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:27:49,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:27:49,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:27:49,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:27:49,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:27:49,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:27:49,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:27:49,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:27:49,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:27:49,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:27:49,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:27:49,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:27:49,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:27:49,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:27:49,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:27:49,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:27:49,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:27:49,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:27:49,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:27:49,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:27:49,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:27:49,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:27:49,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:27:49,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:27:49,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:27:49,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:27:49,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:27:49,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:27:49,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:27:49,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:27:49,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:27:49,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:27:49,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:27:49,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:27:49,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:27:49,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:27:49,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:27:49,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:27:49,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:27:49,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:27:49,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:27:49,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:27:49,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:27:49,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:27:49,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:27:49,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:27:49,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:27:49,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:27:49,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:27:49,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:27:49,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:27:49,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:27:49,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:27:49,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:27:49,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:27:49,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:27:49,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:27:49,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:27:49,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:27:49,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:27:49,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:27:49,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:27:49,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:27:49,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:27:49,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:27:49,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:27:49,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:27:49,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:27:49,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:27:49,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:27:49,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:27:49,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:27:49,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:27:49,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:27:49,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:27:49,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:27:49,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:27:49,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:27:49,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:27:49,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:27:49,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:27:49,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:27:49,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:27:49,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:27:49,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:27:49,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:27:49,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:27:49,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:27:49,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:27:49,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:27:49,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:27:49,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:27:49,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:27:49,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:27:49,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:27:49,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:27:50,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:27:50,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:27:50,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:27:50,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:27:50,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:27:50,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:27:50,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:27:50,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:27:50,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:27:50,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:27:50,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:27:50,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:27:50,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:27:50,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:27:50,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:27:50,028   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:27:50,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:27:50,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:27:50,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:27:50,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:27:50,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:27:50,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:27:50,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:27:50,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:27:50,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:27:50,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:27:50,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:27:50,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:27:50,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:27:50,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:27:50,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:27:50,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:27:50,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:27:50,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:27:50,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:27:50,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:27:50,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:27:50,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:27:50,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:27:50,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:27:50,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:27:50,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:27:50,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:27:50,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:27:50,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:27:50,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:27:50,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:27:50,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:27:50,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:27:50,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:27:50,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:27:50,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:27:50,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:27:50,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:27:50,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:27:50,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:27:50,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:27:50,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:27:50,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:27:50,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:27:50,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:27:50,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:27:50,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:27:50,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:27:50,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:27:50,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:27:50,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:27:50,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:27:50,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:27:50,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:27:50,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:27:50,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:27:50,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:27:50,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:27:50,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:27:50,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:27:50,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:27:50,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:27:50,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:27:50,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:27:50,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:27:50,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:27:50,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:27:50,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:27:50,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:27:50,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:27:50,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:27:50,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:27:50,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:27:50,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:27:50,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:27:50,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:27:50,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:27:50,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:27:50,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:27:50,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:27:50,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:27:50,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:27:50,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:27:50,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:27:50,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:27:50,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:27:50,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:27:50,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:27:50,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:27:50,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:27:50,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:27:50,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:27:50,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:27:50,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:27:50,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:27:50,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:27:50,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:27:50,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:27:50,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:27:50,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:27:50,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:27:50,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:27:50,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:27:50,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:27:50,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:27:50,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:27:50,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:27:50,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:27:50,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:27:50,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:27:50,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:27:50,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:27:50,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:27:50,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:27:50,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:27:50,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:27:50,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:27:50,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:27:50,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:27:50,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:27:50,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:27:50,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:27:50,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:27:50,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:27:50,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:27:50,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:27:50,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:27:50,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:27:50,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:27:50,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:27:50,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:27:50,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:27:50,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:27:50,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:27:50,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:27:50,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:27:50,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:27:50,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:27:50,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:27:50,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:27:50,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:27:50,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:27:50,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:27:50,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:27:50,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:27:50,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:27:50,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:27:50,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:27:50,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:27:50,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:27:50,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:27:50,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:27:50,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:27:50,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:27:50,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:27:50,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:27:50,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:27:50,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:27:50,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:27:50,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:27:50,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:27:50,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:27:50,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:27:50,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:27:50,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:27:50,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:27:50,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:27:50,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:27:50,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:27:50,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:27:50,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:27:50,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:27:50,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:27:50,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:27:50,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:27:50,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:27:50,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:27:50,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:27:50,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:27:50,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:27:50,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:27:50,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:27:50,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:27:50,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:27:50,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:27:50,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:27:50,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:27:50,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:27:50,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:27:50,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:27:50,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:27:50,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:27:50,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:27:50,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:27:50,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:27:50,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:27:50,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:27:50,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:27:50,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:27:50,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:27:50,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:27:50,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:27:50,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:27:50,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:27:50,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:27:50,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:27:50,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:27:50,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:27:50,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:27:50,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:27:50,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:27:50,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:27:50,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:27:50,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:27:50,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:27:50,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:27:50,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:27:50,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:27:50,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:27:50,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:27:50,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:27:50,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:27:50,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:27:50,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:27:50,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:27:50,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:27:50,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:27:50,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:27:50,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:27:50,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:27:50,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:27:50,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:27:50,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:27:50,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:27:50,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:27:50,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:27:50,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:27:50,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:27:50,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:27:50,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:27:50,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:27:50,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:27:50,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:27:50,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:27:50,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:27:50,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:27:50,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:27:50,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:27:50,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:27:50,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:27:50,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:27:50,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:27:50,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:27:50,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:27:50,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:27:50,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:27:50,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:27:50,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:27:50,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:27:50,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:27:50,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:27:50,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:27:50,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:27:50,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:27:50,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:27:50,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:27:50,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:27:50,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:27:50,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:27:50,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:27:50,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:27:50,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:27:50,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:27:50,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:27:50,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:27:50,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:27:50,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:27:50,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:27:50,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:27:50,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:27:51,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:27:51,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:27:51,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:27:51,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:27:51,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:27:51,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:27:51,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:27:51,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:27:51,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:27:51,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:27:51,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:27:51,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:27:51,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:27:51,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:27:51,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:27:51,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:27:51,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:27:51,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:27:51,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:27:51,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:27:51,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:27:51,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:27:51,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:27:51,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:27:51,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:27:51,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:27:51,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:27:51,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:27:51,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:27:51,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:27:51,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:27:51,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:27:51,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:27:51,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:27:51,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:27:51,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:27:51,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:27:51,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:27:51,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:27:51,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:27:51,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:27:51,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:27:51,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:27:51,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:27:51,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:27:51,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:27:51,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:27:51,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:27:51,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:27:51,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:27:51,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:27:51,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:27:51,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:27:51,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:27:51,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:27:51,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:27:51,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:27:51,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:27:51,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:27:51,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:27:51,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:27:51,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:27:51,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:27:51,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:27:51,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:27:51,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:27:51,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:27:51,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:27:51,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:27:51,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:27:51,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:27:51,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:27:51,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:27:51,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:27:51,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:27:51,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:27:51,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:27:51,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:27:51,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:27:51,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:27:51,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:27:51,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:27:51,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:27:51,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:27:51,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:27:51,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:27:51,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:27:51,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:27:51,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:27:51,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:27:51,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:27:51,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:27:51,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:27:51,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:27:51,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:27:51,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:27:51,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:27:51,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:27:51,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:27:51,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:27:51,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:27:51,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:27:51,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:27:51,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:27:51,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:27:51,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:27:51,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:27:51,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:27:51,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:27:51,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:27:51,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:27:51,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:27:51,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:27:51,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:27:51,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:27:51,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:27:51,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:27:51,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:27:51,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:27:51,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:27:51,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:27:51,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:27:51,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:27:51,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:27:51,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:27:51,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:27:51,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:27:51,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:27:51,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:27:51,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:27:51,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:27:51,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:27:51,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:27:51,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:27:51,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:27:51,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:27:51,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:27:51,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:27:51,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:27:51,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:27:51,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:27:51,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:27:51,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:27:51,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:27:51,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:27:51,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:27:51,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:27:51,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:27:51,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:27:51,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:27:51,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:27:51,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:27:51,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:27:51,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:27:51,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:27:51,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:27:51,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:27:51,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:27:51,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:27:51,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:27:51,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:27:51,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:27:51,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:27:51,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:27:51,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:27:51,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:27:51,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:27:51,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:27:51,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:27:51,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:27:51,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:27:51,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:27:51,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:27:51,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:27:51,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:27:51,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:27:51,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:27:51,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:27:51,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:27:51,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:27:51,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:27:51,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:27:51,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:27:51,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:27:51,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:27:51,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:27:51,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:27:51,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:27:51,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:27:51,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:27:51,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:27:51,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:27:51,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:27:51,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:27:51,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:27:51,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:27:51,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:27:51,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:27:51,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:27:51,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:27:51,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:27:51,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:27:51,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:27:51,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:27:51,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:27:51,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:27:51,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:27:51,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:27:51,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:27:51,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:27:51,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:27:51,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:27:51,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:27:51,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:27:51,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:27:51,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:27:51,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:27:51,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:27:51,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:27:51,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:27:51,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:27:51,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:27:51,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:27:51,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:27:51,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:27:51,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:27:51,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:27:51,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:27:51,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:27:51,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:27:51,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:27:51,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:27:51,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:27:51,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:27:51,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:27:51,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:27:51,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:27:51,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:27:51,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:27:51,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:27:51,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:27:51,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:27:51,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:27:51,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:27:51,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:27:51,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:27:51,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:27:51,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:27:51,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:27:51,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:27:51,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:27:51,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:27:51,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:27:51,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:27:51,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:27:51,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:27:51,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:27:51,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:27:51,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:27:51,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:27:51,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:27:51,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:27:51,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:27:51,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:27:51,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:27:51,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:27:51,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:27:51,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:27:51,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:27:51,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:27:51,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:27:51,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:27:51,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:27:51,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:27:51,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:27:51,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:27:51,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:27:51,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:27:51,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:27:51,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:27:51,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:27:51,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:27:51,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:27:51,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:27:51,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:27:51,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:27:51,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:27:51,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:27:51,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:27:51,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:27:51,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:27:51,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:27:51,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:27:51,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:27:51,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:27:51,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:27:51,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:27:51,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:27:51,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:27:51,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:27:51,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:27:51,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:27:51,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:27:51,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:27:51,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:27:51,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:27:51,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:27:51,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:27:51,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:27:51,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:27:51,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:27:51,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:27:51,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:27:51,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:27:51,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:27:51,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:27:51,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:27:51,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:27:51,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:27:51,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:27:51,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:27:51,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:27:51,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:27:51,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:27:51,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:27:51,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:27:51,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:27:51,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:27:51,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:27:51,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:27:51,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:27:51,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:27:51,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:27:51,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:27:51,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:27:51,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:27:51,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:27:51,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:27:51,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:27:51,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:27:51,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:27:51,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:27:51,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:27:51,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:27:51,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:27:51,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:27:51,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:27:51,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:27:51,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:27:51,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:27:51,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:27:51,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:27:51,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:27:51,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:27:51,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:27:51,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:27:51,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:27:51,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:27:51,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:27:51,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:27:51,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:27:51,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:27:51,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:27:51,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:27:51,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:27:51,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:27:51,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:27:51,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:27:51,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:27:51,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:27:51,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:27:51,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:27:51,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:27:51,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:27:51,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:27:51,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:27:51,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:27:51,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:27:51,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:27:51,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:27:51,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:27:51,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:27:51,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:27:51,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:27:51,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:27:51,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:27:51,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:27:51,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:27:51,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:27:51,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:27:51,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:27:51,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:27:51,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:27:51,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:27:51,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:27:51,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:27:51,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:27:51,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:27:51,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:27:51,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:27:51,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:27:51,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:27:51,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:27:51,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:27:51,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:27:51,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:27:51,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:27:51,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:27:51,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:27:51,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:27:51,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:27:51,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:27:51,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:27:51,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:27:51,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:27:51,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:27:51,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:27:51,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:27:51,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:27:51,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:27:51,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:27:51,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:27:51,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:27:51,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:27:51,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:27:51,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:27:51,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:27:51,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:27:51,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:27:51,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:27:51,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:27:51,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:27:51,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:27:51,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:27:51,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:27:51,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:27:51,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:27:51,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:27:51,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:27:51,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:27:51,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:27:51,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:27:51,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:27:51,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:27:51,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:27:51,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:27:51,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:27:51,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:27:51,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:27:51,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:27:51,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:27:51,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:27:51,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:27:51,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:27:51,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:27:51,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:27:51,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:27:51,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:27:51,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:27:51,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:27:51,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:27:51,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:27:51,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:27:51,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:27:51,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:27:51,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:27:51,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:27:51,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:27:51,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:27:51,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:27:51,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:27:51,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:27:51,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:27:51,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:27:51,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:27:51,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:27:51,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:27:51,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:27:51,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:27:51,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:27:51,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:27:51,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:27:51,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:27:51,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:27:51,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:27:51,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:27:51,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:27:51,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:27:51,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:27:51,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:27:51,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:27:51,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:27:51,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:27:51,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:27:51,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:27:51,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:27:51,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:27:51,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:27:51,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:27:51,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:27:51,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:27:51,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:27:51,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:27:51,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:27:51,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:27:51,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:27:51,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:27:51,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:27:51,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:27:51,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:27:51,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:27:51,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:27:51,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:27:51,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:27:51,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:27:51,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:27:51,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:27:51,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:27:51,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:27:51,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:27:51,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:27:51,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:27:51,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:27:51,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:27:51,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:27:51,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:27:51,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:27:51,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:27:51,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:27:51,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:27:52,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:27:52,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:27:52,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:27:52,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:27:52,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:27:52,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:27:52,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:27:52,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:27:52,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:27:52,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:27:52,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:27:52,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:27:52,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:27:52,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:27:52,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:27:52,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:27:52,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:27:52,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:27:52,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:27:52,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:27:52,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:27:52,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:27:52,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:27:52,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:27:52,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:27:52,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:27:52,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:27:52,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:27:52,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:27:52,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:27:52,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:27:52,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:27:52,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:27:52,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:27:52,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:27:52,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:27:52,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:27:52,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:27:52,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:27:52,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:27:52,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:27:52,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:27:52,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:27:52,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:27:52,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:27:52,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:27:52,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:27:52,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:27:52,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:27:52,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:27:52,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:27:52,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:27:52,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:27:52,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:27:52,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:27:52,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:27:52,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:27:52,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:27:52,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:27:52,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:27:52,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:27:52,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:27:52,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:27:52,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:27:52,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:27:52,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:27:52,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:27:52,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:27:52,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:27:52,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:27:52,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:27:52,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:27:52,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:27:52,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:27:52,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:27:52,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:27:52,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:27:52,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:27:52,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:27:52,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:27:52,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:27:52,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:27:52,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:27:52,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:27:52,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:27:52,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:27:52,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:27:52,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:27:52,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:27:52,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:27:52,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:27:52,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:27:52,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:27:52,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:27:52,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:27:52,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:27:52,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:27:52,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:27:52,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:27:52,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:27:52,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:27:52,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:27:52,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:27:52,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:27:52,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:27:52,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:27:52,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:27:52,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:27:52,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:27:52,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:27:52,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:27:52,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:27:52,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:27:52,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:27:52,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:27:52,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:27:52,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:27:52,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:27:52,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:27:52,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:27:52,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:27:52,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:27:52,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:27:52,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:27:52,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:27:52,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:27:52,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:27:52,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:27:52,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:27:52,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:27:52,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:27:52,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:27:52,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:27:52,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:27:52,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:27:52,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:27:52,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:27:52,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:27:52,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:27:52,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:27:52,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:27:52,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:27:52,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:27:52,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:27:52,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:27:52,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:27:52,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:27:52,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:27:52,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:27:52,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:27:52,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:27:52,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:27:52,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:27:52,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:27:52,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:27:52,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:27:52,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:27:52,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:27:52,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:27:52,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:27:52,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:27:52,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:27:52,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:27:52,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:27:52,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:27:52,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:27:52,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:27:52,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:27:52,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:27:52,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:27:52,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:27:52,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:27:52,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:27:52,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:27:52,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:27:52,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:27:52,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:27:52,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:27:52,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:27:52,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:27:52,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:27:52,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:27:52,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:27:52,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:27:52,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:27:52,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:27:52,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:27:52,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:27:52,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:27:52,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:27:52,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:27:52,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:27:52,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:27:52,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:27:52,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:27:52,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:27:52,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:27:52,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:27:52,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:27:52,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:27:52,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:27:52,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:27:52,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:27:52,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:27:52,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:27:52,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:27:52,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:27:52,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:27:52,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:27:52,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:27:52,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:27:52,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:27:52,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:27:52,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:27:52,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:27:52,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:27:52,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:27:52,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:27:52,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:27:52,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:27:52,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:27:52,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:27:52,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:27:52,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:27:52,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:27:52,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:27:52,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:27:52,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:27:52,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:27:52,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:27:52,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:27:52,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:27:52,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:27:52,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:27:52,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:27:52,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:27:52,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:27:52,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:27:52,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:27:52,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:27:52,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:27:52,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:27:52,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:27:52,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:27:52,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:27:52,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:27:52,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:27:52,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:27:52,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:27:52,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:27:52,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:27:52,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:27:52,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:27:52,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:27:52,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:27:52,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:27:52,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:27:52,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:27:52,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:27:52,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:27:52,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:27:52,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:27:52,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:27:52,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:27:52,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:27:52,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:27:52,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:27:52,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:27:52,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:27:52,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:27:52,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:27:52,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:27:52,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:27:52,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:27:52,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:27:52,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:27:52,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:27:52,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:27:52,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:27:52,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:27:52,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:27:52,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:27:52,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:27:52,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:27:52,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:27:52,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:27:52,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:27:52,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:27:52,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:27:52,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:27:52,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:27:52,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:27:52,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:27:52,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:27:52,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:27:52,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:27:52,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:27:52,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:27:52,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:27:52,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:27:52,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:27:52,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:27:52,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:27:52,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:27:52,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:27:52,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:27:52,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:27:52,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:27:52,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:27:52,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:27:52,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:27:52,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:27:52,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:27:52,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:27:52,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:27:52,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:27:52,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:27:52,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:27:52,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:27:52,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:27:52,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:27:52,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:27:52,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:27:52,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:27:52,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:27:52,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:27:52,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:27:52,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:27:52,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:27:52,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:27:52,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:27:52,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:27:52,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:27:52,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:27:52,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:27:52,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:27:52,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:27:52,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:27:52,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:27:52,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:27:52,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:27:52,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:27:52,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:27:52,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:27:52,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:27:52,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:27:52,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:27:52,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:27:52,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:27:52,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:27:52,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:27:52,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:27:52,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:27:52,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:27:52,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:27:52,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:27:52,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:27:52,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:27:52,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:27:52,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:27:52,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:27:52,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:27:52,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:27:52,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:27:52,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:27:52,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:27:52,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:27:52,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:27:52,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:27:52,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:27:52,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:27:52,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:27:52,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:27:52,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:27:52,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:27:52,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:27:52,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:27:52,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:27:52,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:27:52,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:27:52,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:27:52,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:27:52,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:27:52,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:27:52,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:27:52,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:27:52,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:27:52,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:27:52,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:27:52,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:27:52,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:27:52,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:27:52,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:27:52,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:27:52,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:27:52,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:27:52,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:27:52,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:27:52,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:27:52,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:27:52,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:27:52,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:27:52,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:27:52,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:27:52,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:27:52,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:27:52,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:27:52,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:27:52,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:27:52,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:27:52,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:27:52,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:27:52,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:27:52,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:27:52,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:27:52,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:27:52,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:27:52,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:27:52,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:27:52,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:27:52,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:27:52,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:27:52,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:27:52,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:27:52,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:27:52,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:27:52,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:27:52,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:27:52,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:27:52,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:27:52,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:27:52,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:27:52,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:27:52,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:27:52,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:27:52,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:27:52,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:27:52,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:27:52,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:27:52,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:27:52,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:27:52,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:27:52,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:27:52,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:27:52,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:27:52,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:27:52,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:27:52,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:27:52,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:27:52,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:27:52,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:27:52,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:27:52,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:27:52,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:27:52,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:27:52,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:27:52,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:27:52,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:27:52,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:27:52,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:27:52,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:27:52,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:27:52,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:27:52,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:27:52,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:27:52,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:27:52,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:27:52,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:27:52,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:27:52,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:27:52,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:27:52,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:27:52,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:27:52,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:27:52,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:27:52,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:27:52,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:27:52,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:27:52,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:27:52,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:27:52,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:27:52,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:27:52,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:27:52,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:27:52,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:27:52,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:27:52,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:27:52,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:27:52,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:27:52,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:27:52,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:27:52,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:27:52,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:27:52,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:27:52,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:27:52,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:27:52,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:27:52,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:27:52,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:27:52,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:27:52,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:27:52,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:27:52,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:27:52,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:27:52,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:27:52,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:27:52,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:27:52,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:27:52,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:27:52,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:27:52,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:27:52,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:27:52,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:27:52,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:27:52,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:27:52,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:27:52,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:27:52,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:27:52,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:27:52,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:27:52,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:27:52,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:27:52,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:27:52,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:27:52,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:27:52,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:27:52,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:27:52,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:27:52,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:27:52,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:27:52,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:27:52,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:27:52,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:27:52,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:27:52,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:27:52,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:27:52,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:27:52,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:27:52,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:27:52,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:27:53,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:27:53,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:27:53,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:27:53,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:27:53,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:27:53,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:27:53,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:27:53,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:27:53,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:27:53,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:27:53,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:27:53,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:27:53,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:27:53,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:27:53,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:27:53,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:27:53,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:27:53,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:27:53,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:27:53,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:27:53,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:27:53,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:27:53,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:27:53,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:27:53,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:27:53,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:27:53,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:27:53,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:27:53,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:27:53,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:27:53,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:27:53,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:27:53,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:27:53,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:27:53,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:27:53,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:27:53,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:27:53,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:27:53,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:27:53,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:27:53,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:27:53,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:27:53,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:27:53,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:27:53,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:27:53,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:27:53,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:27:53,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:27:53,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:27:53,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:27:53,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:27:53,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:27:53,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:27:53,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:27:53,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:27:53,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:27:53,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:27:53,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:27:53,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:27:53,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:27:53,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:27:53,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:27:53,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:27:53,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:27:53,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:27:53,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:27:53,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:27:53,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:27:53,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:27:53,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:27:53,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:27:53,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:27:53,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:27:53,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:27:53,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:27:53,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:27:53,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:27:53,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:27:53,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:27:53,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:27:53,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:27:53,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:27:53,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:27:53,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:27:53,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:27:53,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:27:53,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:27:53,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:27:53,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:27:53,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:27:53,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:27:53,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:27:53,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:27:53,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:27:53,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:27:53,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:27:53,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:27:53,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:27:53,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:27:53,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:27:53,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:27:53,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:27:53,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:27:53,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:27:53,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:27:53,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:27:53,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:27:53,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:27:53,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:27:53,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:27:53,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:27:53,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:27:53,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:27:53,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:27:53,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:27:53,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:27:53,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:27:53,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:27:53,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:27:53,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:27:53,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:27:53,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:27:53,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:27:53,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:27:53,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:27:53,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:27:53,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:27:53,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:27:53,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:27:53,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:27:53,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:27:53,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:27:53,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:27:53,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:27:53,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:27:53,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:27:53,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:27:53,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:27:53,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:27:53,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:27:53,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:27:53,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:27:53,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:27:53,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:27:53,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:27:53,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:27:53,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:27:53,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:27:53,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:27:53,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:27:53,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:27:53,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:27:53,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:27:53,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:27:53,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:27:53,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:27:53,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:27:53,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:27:53,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:27:53,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:27:53,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:27:53,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:27:53,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:27:53,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:27:53,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:27:53,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:27:53,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:27:53,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:27:53,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:27:53,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:27:53,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:27:53,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:27:53,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:27:53,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:27:53,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:27:53,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:27:53,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:27:53,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:27:53,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:27:53,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:27:53,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:27:53,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:27:53,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:27:53,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:27:53,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:27:53,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:27:53,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:27:53,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:27:53,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:27:53,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:27:53,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:27:53,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:27:53,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:27:53,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:27:53,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:27:53,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:27:53,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:27:53,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:27:53,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:27:53,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:27:53,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:27:53,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:27:53,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:27:53,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:27:53,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:27:53,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:27:53,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:27:53,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:27:53,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:27:53,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:27:53,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:27:53,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:27:53,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:27:53,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:27:53,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:27:53,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:27:53,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:27:53,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:27:53,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:27:53,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:27:53,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:27:53,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:27:53,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:27:53,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:27:53,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:27:53,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:27:53,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:27:53,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:27:53,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:27:53,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:27:53,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:27:53,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:27:53,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:27:53,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:27:53,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:27:53,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:27:53,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:27:53,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:27:53,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:27:53,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:27:53,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:27:53,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:27:53,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:27:53,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:27:53,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:27:53,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:27:53,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:27:53,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:27:53,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:27:53,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:27:53,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:27:53,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:27:53,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:27:53,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:27:53,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:27:53,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:27:53,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:27:53,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:27:53,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:27:53,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:27:53,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:27:53,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:27:53,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:27:53,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:27:53,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:27:53,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:27:53,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:27:53,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:27:53,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:27:53,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:27:53,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:27:53,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:27:53,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:27:53,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:27:53,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:27:53,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:27:53,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:27:53,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:27:53,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:27:53,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:27:53,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:27:53,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:27:53,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:27:53,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:27:53,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:27:53,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:27:53,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:27:53,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:27:53,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:27:53,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:27:53,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:27:53,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:27:53,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:27:53,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:27:53,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:27:53,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:27:53,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:27:53,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:27:53,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:27:53,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:27:53,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:27:53,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:27:53,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:27:53,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:27:53,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:27:53,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:27:53,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:27:53,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:27:53,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:27:53,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:27:53,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:27:53,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:27:53,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:27:53,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:27:53,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:27:53,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:27:53,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:27:53,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:27:53,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:27:53,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:27:53,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:27:53,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:27:53,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:27:53,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:27:53,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:27:53,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:27:53,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:27:53,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:27:53,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:27:53,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:27:53,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:27:53,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:27:53,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:27:53,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:27:53,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:27:53,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:27:53,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:27:53,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:27:53,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:27:53,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:27:53,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:27:53,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:27:53,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:27:53,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:27:53,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:27:53,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:27:53,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:27:53,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:27:53,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:27:53,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:27:53,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:27:53,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:27:53,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:27:53,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:27:53,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:27:53,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:27:53,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:27:53,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:27:53,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:27:53,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:27:53,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:27:53,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:27:53,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:27:53,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:27:53,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:27:53,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:27:53,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:27:53,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:27:53,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:27:53,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:27:53,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:27:53,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:27:53,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:27:53,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:27:53,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:27:53,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:27:53,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:27:53,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:27:53,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:27:53,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:27:53,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:27:53,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:27:53,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:27:53,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:27:53,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:27:53,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:27:53,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:27:53,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:27:53,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:27:53,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:27:53,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:27:53,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:27:53,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:27:53,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:27:53,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:27:53,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:27:53,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:27:53,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:27:54,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:27:54,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:27:54,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:27:54,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:27:54,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:27:54,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:27:54,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:27:54,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:27:54,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:27:54,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:27:54,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:27:54,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:27:54,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:27:54,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:27:54,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:27:54,028   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:27:54,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:27:54,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:27:54,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:27:54,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:27:54,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:27:54,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:27:54,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:27:54,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:27:54,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:27:54,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:27:54,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:27:54,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:27:54,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:27:54,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:27:54,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:27:54,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:27:54,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:27:54,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:27:54,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:27:54,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:27:54,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:27:54,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:27:54,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:27:54,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:27:54,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:27:54,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:27:54,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:27:54,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:27:54,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:27:54,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:27:54,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:27:54,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:27:54,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:27:54,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:27:54,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:27:54,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:27:54,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:27:54,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:27:54,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:27:54,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:27:54,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:27:54,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:27:54,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:27:54,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:27:54,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:27:54,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:27:54,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:27:54,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:27:54,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:27:54,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:27:54,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:27:54,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:27:54,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:27:54,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:27:54,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:27:54,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:27:54,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:27:54,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:27:54,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:27:54,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:27:54,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:27:54,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:27:54,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:27:54,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:27:54,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:27:54,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:27:54,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:27:54,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:27:54,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:27:54,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:27:54,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:27:54,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:27:54,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:27:54,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:27:54,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:27:54,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:27:54,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:27:54,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:27:54,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:27:54,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:27:54,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:27:54,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:27:54,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:27:54,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:27:54,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:27:54,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:27:54,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:27:54,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:27:54,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:27:54,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:27:54,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:27:54,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:27:54,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:27:54,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:27:54,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:27:54,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:27:54,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:27:54,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:27:54,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:27:54,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:27:54,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:27:54,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:27:54,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:27:54,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:27:54,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:27:54,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:27:54,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:27:54,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:27:54,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:27:54,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:27:54,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:27:54,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:27:54,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:27:54,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:27:54,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:27:54,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:27:54,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:27:54,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:27:54,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:27:54,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:27:54,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:27:54,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:27:54,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:27:54,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:27:54,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:27:54,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:27:54,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:27:54,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:27:54,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:27:54,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:27:54,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:27:54,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:27:54,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:27:54,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:27:54,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:27:54,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:27:54,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:27:54,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:27:54,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:27:54,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:27:54,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:27:54,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:27:54,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:27:54,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:27:54,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:27:54,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:27:54,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:27:54,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:27:54,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:27:54,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:27:54,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:27:54,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:27:54,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:27:54,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:27:54,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:27:54,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:27:54,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:27:54,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:27:54,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:27:54,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:27:54,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:27:54,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:27:54,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:27:54,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:27:54,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:27:54,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:27:54,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:27:54,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:27:54,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:27:54,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:27:54,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:27:54,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:27:54,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:27:54,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:27:54,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:27:54,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:27:54,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:27:54,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:27:54,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:27:54,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:27:54,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:27:54,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:27:54,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:27:54,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:27:54,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:27:54,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:27:54,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:27:54,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:27:54,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:27:54,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:27:54,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:27:54,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:27:54,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:27:54,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:27:54,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:27:54,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:27:54,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:27:54,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:27:54,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:27:54,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:27:54,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:27:54,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:27:54,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:27:54,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:27:54,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:27:54,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:27:54,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:27:54,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:27:54,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:27:54,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:27:54,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:27:54,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:27:54,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:27:54,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:27:54,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:27:54,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:27:54,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:27:54,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:27:54,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:27:54,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:27:54,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:27:54,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:27:54,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:27:54,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:27:54,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:27:54,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:27:54,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:27:54,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:27:54,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:27:54,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:27:54,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:27:54,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:27:54,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:27:54,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:27:54,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:27:54,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:27:54,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:27:54,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:27:54,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:27:54,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:27:54,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:27:54,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:27:54,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:27:54,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:27:54,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:27:54,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:27:54,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:27:54,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:27:54,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:27:54,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:27:54,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:27:54,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:27:54,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:27:54,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:27:54,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:27:54,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:27:54,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:27:54,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:27:54,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:27:54,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:27:54,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:27:54,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:27:54,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:27:54,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:27:54,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:27:54,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:27:54,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:27:54,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:27:54,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:27:54,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:27:54,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:27:54,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:27:54,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:27:54,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:27:54,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:27:54,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:27:54,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:27:54,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:27:54,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:27:54,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:27:54,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:27:54,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:27:54,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:27:54,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:27:54,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:27:54,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:27:54,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:27:54,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:27:54,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:27:54,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:27:54,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:27:54,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:27:54,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:27:54,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:27:54,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:27:54,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:27:54,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:27:54,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:27:54,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:27:54,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:27:54,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:27:54,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:27:54,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:27:54,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:27:54,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:27:54,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:27:54,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:27:54,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:27:54,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:27:54,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:27:54,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:27:54,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:27:54,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:27:54,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:27:54,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:27:54,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:27:54,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:27:54,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:27:54,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:27:54,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:27:54,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:27:54,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:27:54,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:27:54,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:27:54,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:27:54,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:27:54,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:27:54,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:27:54,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:27:54,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:27:54,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:27:54,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:27:54,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:27:54,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:27:54,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:27:54,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:27:54,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:27:54,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:27:54,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:27:54,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:27:54,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:27:54,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:27:54,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:27:54,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:27:54,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:27:54,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:27:54,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:27:54,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:27:54,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:27:54,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:27:54,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:27:54,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:27:54,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:27:54,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:27:54,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:27:54,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:27:54,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:27:54,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:27:54,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:27:54,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:27:54,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:27:54,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:27:54,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:27:54,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:27:54,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:27:54,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:27:54,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:27:54,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:27:54,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:27:54,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:27:54,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:27:54,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:27:54,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:27:54,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:27:54,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:27:54,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:27:54,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:27:54,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:27:54,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:27:54,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:27:54,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:27:54,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:27:54,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:27:54,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:27:54,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:27:54,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:27:54,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:27:54,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:27:54,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:27:54,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:27:54,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:27:54,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:27:54,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:27:54,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:27:54,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:27:54,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:27:54,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:27:54,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:27:54,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:27:54,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:27:54,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:27:54,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:27:54,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:27:54,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:27:54,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:27:54,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:27:54,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:27:54,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:27:54,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:27:54,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:27:54,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:27:54,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:27:54,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:27:54,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:27:54,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:27:54,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:27:54,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:27:54,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:27:54,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:27:54,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:27:54,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:27:54,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:27:54,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:27:54,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:27:54,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:27:54,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:27:54,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:27:54,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:27:54,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:27:54,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:27:54,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:27:54,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:27:54,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:27:54,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:27:54,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:27:54,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:27:54,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:27:54,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:27:54,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:27:54,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:27:54,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:27:54,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:27:54,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:27:54,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:27:54,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:27:54,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:27:54,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:27:54,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:27:54,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:27:54,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:27:54,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:27:54,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:27:54,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:27:54,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:27:54,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:27:54,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:27:54,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:27:54,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:27:54,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:27:54,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:27:54,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:27:54,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:27:54,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:27:54,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:27:54,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:27:54,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:27:54,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:27:54,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:27:54,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:27:54,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:27:54,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:27:54,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:27:54,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:27:54,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:27:54,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:27:54,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:27:54,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:27:54,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:27:54,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:27:54,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:27:54,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:27:54,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:27:54,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:27:54,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:27:54,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:27:54,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:27:54,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:27:54,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:27:54,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:27:54,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:27:54,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:27:54,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:27:54,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:27:54,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:27:54,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:27:54,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:27:54,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:27:54,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:27:54,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:27:54,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:27:54,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:27:54,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:27:54,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:27:54,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:27:54,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:27:54,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:27:54,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:27:54,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:27:54,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:27:54,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:27:55,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:27:55,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:27:55,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:27:55,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:27:55,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:27:55,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:27:55,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:27:55,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:27:55,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:27:55,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:27:55,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:27:55,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:27:55,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:27:55,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:27:55,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:27:55,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:27:55,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:27:55,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:27:55,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:27:55,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:27:55,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:27:55,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:27:55,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:27:55,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:27:55,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:27:55,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:27:55,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:27:55,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:27:55,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:27:55,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:27:55,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:27:55,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:27:55,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:27:55,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:27:55,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:27:55,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:27:55,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:27:55,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:27:55,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:27:55,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:27:55,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:27:55,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:27:55,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:27:55,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:27:55,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:27:55,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:27:55,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:27:55,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:27:55,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:27:55,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:27:55,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:27:55,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:27:55,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:27:55,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:27:55,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:27:55,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:27:55,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:27:55,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:27:55,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:27:55,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:27:55,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:27:55,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:27:55,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:27:55,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:27:55,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:27:55,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:27:55,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:27:55,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:27:55,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:27:55,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:27:55,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:27:55,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:27:55,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:27:55,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:27:55,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:27:55,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:27:55,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:27:55,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:27:55,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:27:55,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:27:55,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:27:55,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:27:55,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:27:55,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:27:55,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:27:55,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:27:55,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:27:55,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:27:55,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:27:55,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:27:55,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:27:55,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:27:55,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:27:55,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:27:55,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:27:55,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:27:55,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:27:55,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:27:55,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:27:55,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:27:55,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:27:55,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:27:55,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:27:55,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:27:55,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:27:55,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:27:55,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:27:55,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:27:55,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:27:55,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:27:55,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:27:55,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:27:55,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:27:55,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:27:55,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:27:55,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:27:55,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:27:55,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:27:55,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:27:55,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:27:55,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:27:55,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:27:55,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:27:55,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:27:55,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:27:55,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:27:55,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:27:55,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:27:55,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:27:55,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:27:55,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:27:55,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:27:55,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:27:55,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:27:55,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:27:55,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:27:55,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:27:55,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:27:55,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:27:55,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:27:55,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:27:55,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:27:55,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:27:55,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:27:55,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:27:55,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:27:55,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:27:55,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:27:55,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:27:55,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:27:55,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:27:55,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:27:55,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:27:55,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:27:55,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:27:55,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:27:55,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:27:55,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:27:55,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:27:55,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:27:55,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:27:55,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:27:55,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:27:55,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:27:55,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:27:55,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:27:55,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:27:55,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:27:55,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:27:55,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:27:55,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:27:55,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:27:55,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:27:55,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:27:55,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:27:55,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:27:55,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:27:55,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:27:55,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:27:55,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:27:55,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:27:55,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:27:55,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:27:55,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:27:55,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:27:55,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:27:55,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:27:55,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:27:55,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:27:55,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:27:55,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:27:55,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:27:55,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:27:55,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:27:55,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:27:55,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:27:55,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:27:55,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:27:55,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:27:55,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:27:55,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:27:55,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:27:55,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:27:55,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:27:55,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:27:55,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:27:55,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:27:55,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:27:55,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:27:55,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:27:55,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:27:55,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:27:55,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:27:55,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:27:55,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:27:55,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:27:55,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:27:55,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:27:55,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:27:55,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:27:55,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:27:55,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:27:55,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:27:55,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:27:55,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:27:55,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:27:55,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:27:55,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:27:55,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:27:55,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:27:55,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:27:55,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:27:55,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:27:55,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:27:55,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:27:55,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:27:55,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:27:55,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:27:55,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:27:55,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:27:55,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:27:55,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:27:55,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:27:55,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:27:55,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:27:55,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:27:55,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:27:55,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:27:55,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:27:55,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:27:55,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:27:55,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:27:55,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:27:55,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:27:55,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:27:55,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:27:55,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:27:55,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:27:55,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:27:55,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:27:55,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:27:55,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:27:55,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:27:55,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:27:55,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:27:55,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:27:55,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:27:55,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:27:55,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:27:55,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:27:55,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:27:55,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:27:55,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:27:55,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:27:55,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:27:55,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:27:55,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:27:55,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:27:55,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:27:55,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:27:55,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:27:55,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:27:55,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:27:55,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:27:55,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:27:55,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:27:55,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:27:55,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:27:55,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:27:55,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:27:55,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:27:55,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:27:55,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:27:55,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:27:55,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:27:55,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:27:55,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:27:55,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:27:55,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:27:55,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:27:55,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:27:55,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:27:55,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:27:55,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:27:55,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:27:55,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:27:55,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:27:55,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:27:55,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:27:55,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:27:55,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:27:55,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:27:55,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:27:55,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:27:55,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:27:55,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:27:55,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:27:55,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:27:55,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:27:55,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:27:55,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:27:55,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:27:55,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:27:55,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:27:55,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:27:55,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:27:55,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:27:55,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:27:55,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:27:55,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:27:55,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:27:55,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:27:55,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:27:55,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:27:55,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:27:55,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:27:55,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:27:55,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:27:55,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:27:55,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:27:55,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:27:55,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:27:55,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:27:55,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:27:55,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:27:55,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:27:55,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:27:55,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:27:55,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:27:55,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:27:55,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:27:55,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:27:55,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:27:55,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:27:55,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:27:55,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:27:55,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:27:55,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:27:55,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:27:55,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:27:55,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:27:55,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:27:55,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:27:55,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:27:55,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:27:55,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:27:55,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:27:55,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:27:55,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:27:55,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:27:55,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:27:55,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:27:55,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:27:55,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:27:55,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:27:55,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:27:55,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:27:55,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:27:55,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:27:55,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:27:55,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:27:55,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:27:55,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:27:55,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:27:55,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:27:55,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:27:55,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:27:55,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:27:55,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:27:55,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:27:55,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:27:55,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:27:55,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:27:55,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:27:55,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:27:55,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:27:55,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:27:55,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:27:55,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:27:55,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:27:55,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:27:55,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:27:55,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:27:55,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:27:55,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:27:55,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:27:55,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:27:55,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:27:55,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:27:55,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:27:55,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:27:55,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:27:55,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:27:55,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:27:55,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:27:55,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:27:55,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:27:55,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:27:55,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:27:55,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:27:55,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:27:55,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:27:55,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:27:55,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:27:55,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:27:55,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:27:55,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:27:55,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:27:55,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:27:55,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:27:55,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:55,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:27:55,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:55,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:27:55,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:55,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:27:55,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:55,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:27:55,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:55,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:27:55,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:55,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:27:55,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:55,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:27:55,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:55,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:27:55,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:55,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:27:55,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:55,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:27:55,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:55,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:27:55,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:55,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:27:55,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:55,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:27:55,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:55,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:27:55,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:55,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:27:55,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:55,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:27:55,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:55,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:27:55,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:55,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:27:55,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:55,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:27:55,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:55,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:27:55,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:55,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:27:55,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:55,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:27:55,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:55,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:27:55,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:55,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:27:55,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:55,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:27:55,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:55,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:27:55,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:55,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:27:55,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:55,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:27:55,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:55,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:27:55,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:27:55,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:27:55,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:27:55,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:27:55,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:27:55,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:27:55,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:27:55,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:27:55,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:27:55,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:27:55,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:27:55,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:27:55,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:27:55,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:27:55,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:27:55,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:27:55,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:27:55,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:27:55,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:27:55,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:27:55,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:27:55,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:27:55,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:27:55,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:27:55,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:55,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:27:55,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:27:55,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:27:55,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:56,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:27:56,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:27:56,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:27:56,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:27:56,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:27:56,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:56,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:27:56,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:27:56,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:27:56,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:27:56,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:27:56,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:56,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:27:56,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:27:56,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:27:56,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:27:56,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:27:56,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:56,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:27:56,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:27:56,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:27:56,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:27:56,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:27:56,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:27:56,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:27:56,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:27:56,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:27:56,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:27:56,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:27:56,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:27:56,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:27:56,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:27:56,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:27:56,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:27:56,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:27:56,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:56,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:27:56,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:27:56,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:27:56,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:56,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:27:56,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:27:56,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:27:56,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:56,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:27:56,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:27:56,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:27:56,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:27:56,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:27:56,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:56,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:27:56,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:56,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:27:56,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:27:56,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:27:56,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:56,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:27:56,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:27:56,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:27:56,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:56,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:27:56,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:56,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:27:56,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:27:56,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:27:56,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:27:56,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:27:56,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:56,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:27:56,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:27:56,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:27:56,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:27:56,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:27:56,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:27:56,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:27:56,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:27:56,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:27:56,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:27:56,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:27:56,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:56,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:27:56,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:27:56,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:27:56,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:27:56,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:27:56,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:27:56,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:27:56,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:27:56,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:27:56,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:27:56,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:27:56,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:27:56,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:27:56,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:27:56,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:27:56,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:56,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:27:56,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:27:56,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:27:56,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:27:56,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:27:56,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:27:56,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:27:56,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:27:56,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:27:56,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:27:56,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:27:56,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:56,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:27:56,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:27:56,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:27:56,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:27:56,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:27:56,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:27:56,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:27:56,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:27:56,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:27:56,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:27:56,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:27:56,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:27:56,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:27:56,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:56,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:27:56,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:27:56,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:27:56,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:27:56,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:27:56,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:56,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:27:56,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:56,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:27:56,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:56,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:27:56,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:27:56,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:27:56,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:27:56,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:27:56,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:27:56,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:27:56,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:27:56,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:27:56,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:56,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:27:56,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:27:56,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:27:56,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:27:56,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:27:56,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:56,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:27:56,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:56,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:27:56,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:27:56,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:27:56,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:27:56,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:27:56,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:27:56,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:27:56,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:56,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:27:56,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:27:56,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:27:56,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:56,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:27:56,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:27:56,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:27:56,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:27:56,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:27:56,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:27:56,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:27:56,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:27:56,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:27:56,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:27:56,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:27:56,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:27:56,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:27:56,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:27:56,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:27:56,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:27:56,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:27:56,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:56,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:27:56,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:27:56,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:27:56,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:56,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:27:56,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:27:56,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:27:56,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:27:56,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:27:56,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:56,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:27:56,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:27:56,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:27:56,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:56,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:27:56,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:27:56,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:27:56,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:56,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:27:56,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:27:56,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:27:56,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:56,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:27:56,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:27:56,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:27:56,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:27:56,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:27:56,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:27:56,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:27:56,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:27:56,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:27:56,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:27:56,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:27:56,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:56,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:27:56,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:56,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:27:56,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:27:56,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:27:56,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:56,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:27:56,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:27:56,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:27:56,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:27:56,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:27:56,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:27:56,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:27:56,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:56,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:27:56,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:56,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:27:56,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:27:56,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:27:56,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:27:56,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:27:56,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:27:56,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:27:56,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:27:56,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:27:56,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:27:56,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:27:56,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:27:56,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:27:56,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:27:56,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:27:56,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:56,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:27:56,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:27:56,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:27:56,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:56,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:27:56,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:27:56,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:27:56,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:27:56,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:27:56,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:27:56,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:27:56,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:56,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:27:56,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:27:56,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:27:56,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:27:56,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:27:56,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:56,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:27:56,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:27:56,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:27:56,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:27:56,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:27:56,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:27:56,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:27:56,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:56,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:27:56,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:56,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:27:56,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:27:56,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:27:56,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:27:56,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:27:56,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:27:56,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:27:56,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:27:56,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:27:56,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:27:56,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:27:56,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:27:56,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:27:56,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:27:56,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:27:56,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:27:56,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:27:56,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:27:56,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:27:56,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:27:56,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:27:56,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:27:56,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:27:56,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:27:56,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:27:56,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:27:56,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:27:56,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:27:56,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:27:56,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:27:56,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:27:56,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:27:56,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:27:56,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:27:56,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:27:56,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:27:56,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:27:56,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:27:56,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:27:56,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:27:56,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:27:56,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:27:56,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:27:56,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:27:56,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:27:56,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:27:56,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:27:56,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:27:56,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:27:56,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:27:56,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:27:56,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:27:56,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:27:56,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:27:56,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:27:56,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:27:56,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:27:56,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:27:56,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:27:56,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:27:56,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:27:56,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:27:56,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:27:56,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:27:56,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:27:56,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:27:56,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:27:56,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:27:56,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:27:56,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:27:56,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:27:56,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:27:56,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:27:56,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:27:56,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:27:56,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:56,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:27:56,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:56,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:27:56,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:56,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:27:56,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:27:56,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:27:56,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:56,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:27:56,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:56,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:27:56,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:56,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:27:56,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:56,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:27:56,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:56,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:27:56,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:27:56,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:27:56,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:56,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:27:56,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:56,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:27:56,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:56,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:27:56,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:56,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:27:56,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:56,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:27:56,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:56,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:27:56,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:56,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:27:56,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:56,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:27:56,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:56,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:27:56,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:56,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:27:56,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:56,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:27:56,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:56,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:27:56,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:56,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:27:56,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:56,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:27:56,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:56,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:27:56,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:56,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:27:56,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:56,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:27:56,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:56,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:27:56,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:56,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:27:56,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:56,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:27:56,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:56,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:27:56,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:56,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:27:56,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:56,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:27:56,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:56,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:27:56,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:27:56,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:27:56,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:56,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:27:56,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:56,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:27:56,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:56,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:27:56,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:27:56,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:27:56,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:27:56,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:27:56,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:56,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:27:56,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:56,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:27:56,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:56,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:27:56,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:56,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:27:56,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:56,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:27:56,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:56,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:27:56,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:56,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:27:56,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:56,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:27:56,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:56,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:27:56,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:56,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:27:56,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:56,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:27:56,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:56,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:27:56,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:56,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:27:56,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:56,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:27:56,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:56,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:27:56,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:56,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:27:56,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:56,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:27:56,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:27:56,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:27:56,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:56,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:27:57,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:27:57,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:27:57,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:27:57,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:27:57,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:27:57,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:27:57,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:27:57,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:27:57,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:27:57,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:27:57,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:27:57,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:27:57,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:27:57,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:27:57,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:27:57,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:27:57,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:27:57,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:27:57,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:27:57,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:27:57,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:27:57,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:27:57,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:27:57,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:27:57,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:27:57,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:27:57,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:27:57,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:27:57,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:57,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:27:57,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:27:57,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:27:57,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:27:57,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:27:57,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:27:57,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:27:57,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:57,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:27:57,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:27:57,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:27:57,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:27:57,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:27:57,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:27:57,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:27:57,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:27:57,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:27:57,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:27:57,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:27:57,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:57,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:27:57,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:57,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:27:57,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:57,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:27:57,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:57,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:27:57,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:57,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:27:57,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:57,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:27:57,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:57,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:27:57,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:57,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:27:57,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:27:57,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:27:57,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:27:57,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:27:57,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:57,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:27:57,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:57,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:27:57,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:27:57,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:27:57,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:57,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:27:57,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:57,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:27:57,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:27:57,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:27:57,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:57,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:27:57,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:57,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:27:57,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:57,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:27:57,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:57,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:27:57,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:57,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:27:57,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:57,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:27:57,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:27:57,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:27:57,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:27:57,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:27:57,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:57,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:27:57,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:57,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:27:57,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:27:57,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:27:57,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:57,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:27:57,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:27:57,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:27:57,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:27:57,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:27:57,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:27:57,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:27:57,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:27:57,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:27:57,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:27:57,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:27:57,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:27:57,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:27:57,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:27:57,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:27:57,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:27:57,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:27:57,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:27:57,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:27:57,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:27:57,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:27:57,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:27:57,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:27:57,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:27:57,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:27:57,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:27:57,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:27:57,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:27:57,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:27:57,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:27:57,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:27:57,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:27:57,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:27:57,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:27:57,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:27:57,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:27:57,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:27:57,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:27:57,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:27:57,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:27:57,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:27:57,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:27:57,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:27:57,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:27:57,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:27:57,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:27:57,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:27:57,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:27:57,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:27:57,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:27:57,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:27:57,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:27:57,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:27:57,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:27:57,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:27:57,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:27:57,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:27:57,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:27:57,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:27:57,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:27:57,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:27:57,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:27:57,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:27:57,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:27:57,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:27:57,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:27:57,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:27:57,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:27:57,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:27:57,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:27:57,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:27:57,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:27:57,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:27:57,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:27:57,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:27:57,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:27:57,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:27:57,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:27:57,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:27:57,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:27:57,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:27:57,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:27:57,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:27:57,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:27:57,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:27:57,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:27:57,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:27:57,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:57,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:27:57,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:57,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:27:57,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:57,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:27:57,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:57,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:27:57,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:57,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:27:57,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:57,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:27:57,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:57,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:27:57,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:57,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:27:57,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:57,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:27:57,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:57,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:27:57,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:57,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:27:57,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:57,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:27:57,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:57,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:27:57,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:57,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:27:57,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:57,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:27:57,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:57,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:27:57,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:57,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:27:57,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:57,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:27:57,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:57,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:27:57,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:57,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:27:57,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:57,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:27:57,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:57,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:27:57,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:57,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:27:57,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:57,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:27:57,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:57,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:27:57,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:57,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:27:57,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:57,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:27:57,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:27:57,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:27:57,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:27:57,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:27:57,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:27:57,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:27:57,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:27:57,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:27:57,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:27:57,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:27:57,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:27:57,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:27:57,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:27:57,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:27:57,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:27:57,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:27:57,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:27:57,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:27:57,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:27:57,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:27:57,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:27:57,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:27:57,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:27:57,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:27:57,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:27:57,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:27:57,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:27:57,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:27:57,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:27:57,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:27:57,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:27:57,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:27:57,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:27:57,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:27:57,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:27:57,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:27:57,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:27:57,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:27:57,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:27:57,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:27:57,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:27:57,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:27:57,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:27:57,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:27:57,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:27:57,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:27:57,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:27:57,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:27:57,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:27:57,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:27:57,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:27:57,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:27:57,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:27:57,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:27:57,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:27:57,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:27:57,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:27:57,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:27:57,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:27:57,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:27:57,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:27:57,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:27:57,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:27:57,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:27:57,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:27:57,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:27:57,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:27:57,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:27:57,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:27:57,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:27:57,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:27:57,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:27:57,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:27:57,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:27:57,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:27:57,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:27:57,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:27:57,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:27:57,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:27:57,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:27:57,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:27:57,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:27:57,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:57,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:27:57,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:57,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:27:57,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:57,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:27:57,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:57,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:27:57,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:57,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:27:57,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:57,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:27:57,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:57,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:27:57,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:57,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:27:57,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:27:57,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:27:57,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:57,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:27:57,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:57,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:27:57,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:57,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:27:57,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:57,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:27:57,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:57,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:27:57,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:57,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:27:57,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:57,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:27:57,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:57,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:27:57,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:57,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:27:57,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:57,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:27:57,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:57,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:27:57,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:57,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:27:57,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:57,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:27:57,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:57,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:27:57,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:27:57,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:27:57,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:57,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:27:57,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:57,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:27:57,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:57,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:27:57,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:57,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:27:57,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:57,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:27:57,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:57,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:27:57,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:57,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:27:57,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:57,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:27:57,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:57,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:27:57,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:57,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:27:57,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:57,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:27:58,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:58,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:27:58,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:58,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:27:58,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:58,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:27:58,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:58,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:27:58,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:58,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:27:58,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:58,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:27:58,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:58,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:27:58,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:58,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:27:58,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:58,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:27:58,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:58,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:27:58,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:58,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:27:58,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:58,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:27:58,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:58,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:27:58,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:58,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:27:58,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:58,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:27:58,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:27:58,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:27:58,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:27:58,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:27:58,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:27:58,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:27:58,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:27:58,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:27:58,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:58,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:27:58,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:27:58,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:27:58,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:27:58,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:27:58,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:27:58,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:27:58,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:27:58,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:27:58,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:27:58,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:27:58,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:27:58,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:27:58,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:27:58,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:27:58,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:27:58,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:27:58,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:27:58,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:27:58,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:27:58,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:27:58,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:27:58,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:27:58,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:27:58,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:27:58,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:27:58,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:27:58,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:27:58,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:27:58,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:27:58,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:27:58,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:27:58,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:27:58,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:27:58,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:27:58,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:27:58,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:27:58,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:27:58,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:27:58,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:27:58,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:27:58,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:27:58,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:27:58,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:27:58,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:27:58,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:27:58,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:27:58,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:27:58,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:27:58,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:27:58,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:27:58,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:27:58,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:27:58,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:27:58,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:27:58,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:27:58,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:27:58,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:27:58,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:27:58,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:27:58,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:27:58,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:27:58,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:27:58,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:27:58,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:27:58,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:27:58,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:27:58,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:58,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:27:58,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:58,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:27:58,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:27:58,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:27:58,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:27:58,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:27:58,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:58,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:27:58,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:58,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:27:58,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:58,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:27:58,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:58,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:27:58,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:58,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:27:58,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:27:58,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:27:58,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:58,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:27:58,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:58,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:27:58,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:58,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:27:58,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:58,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:27:58,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:58,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:27:58,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:58,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:27:58,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:58,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:27:58,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:58,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:27:58,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:58,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:27:58,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:58,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:27:58,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:27:58,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:27:58,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:58,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:27:58,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:58,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:27:58,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:58,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:27:58,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:58,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:27:58,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:58,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:27:58,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:58,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:27:58,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:58,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:27:58,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:27:58,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:27:58,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:58,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:27:58,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:58,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:27:58,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:27:58,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:27:58,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:58,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:27:58,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:58,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:27:58,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:58,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:27:58,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:27:58,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:27:58,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:58,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:27:58,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:58,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:27:58,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:58,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:27:58,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:58,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:27:58,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:27:58,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:27:58,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:27:58,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:27:58,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:58,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:27:58,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:58,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:27:58,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:27:58,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:27:58,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:58,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:27:58,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:58,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:27:58,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:58,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:27:58,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:27:58,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:27:58,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:58,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:27:58,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:58,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:27:58,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:27:58,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:27:58,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:27:58,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:27:58,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:27:58,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:27:58,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:58,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:27:58,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:27:58,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:27:58,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:27:58,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:27:58,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:27:58,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:27:58,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:27:58,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:27:58,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:27:58,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:27:58,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:27:58,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:27:58,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:27:58,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:27:58,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:27:58,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:27:58,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:27:58,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:27:58,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:58,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:27:58,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:58,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:27:58,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:27:58,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:27:58,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:27:58,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:27:58,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:27:58,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:27:58,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:27:58,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:27:58,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:27:58,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:27:58,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:27:58,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:27:58,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:27:58,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:27:58,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:27:58,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:27:58,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:27:58,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:27:58,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:27:58,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:27:58,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:27:58,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:27:58,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:27:58,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:27:58,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:27:58,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:27:58,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:27:58,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:27:58,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:27:58,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:27:58,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:27:58,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:27:58,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:27:58,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:27:58,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:27:58,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:27:58,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:27:58,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:27:58,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:27:58,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:27:58,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:27:58,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:27:58,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:27:58,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:27:58,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:27:58,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:27:58,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:27:58,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:27:58,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:27:58,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:27:58,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:58,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:27:58,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:58,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:27:58,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:58,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:27:58,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:58,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:27:58,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:27:58,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:27:58,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:27:58,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:27:58,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:27:58,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:27:58,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:27:58,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:27:58,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:27:58,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:27:58,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:27:58,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:27:58,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:27:58,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:27:58,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:27:58,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:27:58,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:27:58,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:27:58,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:27:58,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:27:58,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:27:58,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:27:58,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:27:58,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:27:58,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:27:58,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:27:58,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:27:58,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:27:58,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:27:58,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:27:58,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:27:58,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:27:58,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:27:58,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:27:58,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:27:58,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:27:58,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:27:58,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:27:58,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:27:58,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:27:58,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:27:58,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:27:58,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:27:58,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:27:58,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:27:58,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:27:58,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:27:58,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:27:58,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:27:58,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:27:58,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:27:58,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:27:58,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:27:58,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:27:58,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:27:58,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:27:58,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:27:58,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:27:58,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:27:58,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:27:58,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:27:58,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:27:58,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:27:58,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:27:58,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:27:59,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:27:59,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:27:59,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:27:59,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:27:59,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:27:59,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:27:59,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:27:59,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:27:59,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:27:59,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:27:59,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:27:59,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:27:59,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:27:59,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:27:59,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:27:59,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:27:59,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:27:59,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:27:59,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:27:59,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:27:59,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:27:59,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:27:59,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:27:59,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:27:59,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:27:59,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:27:59,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:27:59,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:27:59,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:27:59,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:27:59,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:27:59,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:27:59,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:27:59,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:27:59,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:27:59,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:27:59,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:27:59,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:27:59,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:27:59,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:27:59,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:27:59,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:27:59,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:27:59,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:27:59,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:27:59,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:27:59,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:27:59,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:27:59,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:27:59,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:27:59,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:27:59,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:27:59,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:27:59,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:27:59,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:27:59,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:27:59,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:27:59,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:27:59,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:27:59,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:27:59,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:27:59,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:27:59,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:27:59,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:27:59,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:27:59,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:27:59,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:27:59,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:27:59,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:27:59,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:27:59,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:27:59,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:27:59,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:27:59,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:27:59,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:27:59,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:27:59,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:27:59,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:27:59,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:27:59,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:27:59,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:27:59,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:27:59,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:27:59,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:27:59,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:27:59,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:27:59,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:27:59,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:27:59,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:27:59,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:27:59,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:27:59,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:27:59,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:27:59,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:27:59,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:27:59,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:27:59,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:27:59,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:27:59,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:27:59,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:27:59,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:27:59,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:27:59,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:27:59,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:27:59,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:27:59,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:27:59,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:27:59,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:27:59,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:27:59,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:27:59,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:27:59,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:27:59,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:27:59,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:27:59,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:27:59,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:27:59,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:27:59,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:27:59,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:27:59,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:27:59,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:27:59,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:27:59,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:27:59,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:27:59,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:27:59,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:27:59,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:27:59,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:27:59,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:27:59,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:27:59,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:27:59,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:27:59,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:27:59,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:27:59,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:27:59,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:27:59,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:27:59,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:27:59,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:27:59,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:27:59,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:27:59,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:59,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:27:59,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:27:59,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:27:59,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:27:59,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:27:59,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:27:59,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:27:59,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:27:59,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:27:59,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:27:59,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:27:59,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:59,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:27:59,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:27:59,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:27:59,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:27:59,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:27:59,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:27:59,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:27:59,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:27:59,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:27:59,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:27:59,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:27:59,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:27:59,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:27:59,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:27:59,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:27:59,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:27:59,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:27:59,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:59,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:27:59,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:27:59,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:27:59,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:27:59,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:27:59,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:59,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:27:59,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:27:59,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:27:59,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:27:59,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:27:59,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:59,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:27:59,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:27:59,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:27:59,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:59,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:27:59,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:59,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:27:59,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:59,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:27:59,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:27:59,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:27:59,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:59,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:27:59,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:59,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:27:59,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:27:59,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:27:59,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:27:59,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:27:59,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:59,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:27:59,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:27:59,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:27:59,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:27:59,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:27:59,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:27:59,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:27:59,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:27:59,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:27:59,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:59,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:27:59,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:59,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:27:59,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:27:59,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:27:59,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:27:59,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:27:59,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:27:59,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:27:59,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:27:59,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:27:59,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:27:59,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:27:59,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:27:59,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:27:59,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:27:59,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:27:59,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:27:59,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:27:59,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:27:59,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:27:59,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:27:59,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:27:59,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:27:59,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:27:59,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:27:59,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:27:59,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:27:59,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:27:59,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:27:59,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:27:59,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:27:59,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:27:59,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:27:59,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:27:59,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:27:59,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:27:59,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:27:59,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:27:59,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:27:59,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:27:59,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:27:59,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:27:59,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:27:59,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:27:59,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:27:59,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:27:59,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:27:59,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:27:59,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:27:59,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:27:59,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:27:59,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:27:59,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:27:59,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:27:59,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:27:59,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:27:59,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:27:59,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:27:59,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:27:59,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:27:59,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:27:59,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:27:59,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:27:59,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:27:59,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:27:59,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:27:59,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:27:59,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:27:59,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:27:59,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:27:59,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:27:59,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:27:59,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:27:59,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:27:59,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:27:59,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:27:59,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:27:59,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:27:59,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:27:59,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:27:59,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:27:59,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:27:59,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:27:59,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:27:59,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:27:59,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:27:59,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:27:59,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:27:59,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:27:59,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:27:59,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:27:59,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:27:59,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:27:59,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:27:59,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:27:59,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:27:59,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:27:59,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:27:59,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:27:59,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:27:59,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:27:59,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:27:59,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:27:59,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:27:59,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:27:59,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:27:59,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:27:59,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:27:59,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:27:59,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:27:59,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:27:59,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:27:59,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:27:59,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:27:59,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:27:59,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:27:59,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:27:59,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:27:59,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:27:59,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:27:59,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:27:59,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:27:59,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:27:59,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:27:59,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:27:59,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:27:59,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:27:59,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:27:59,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:27:59,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:27:59,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:27:59,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:27:59,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:27:59,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:27:59,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:27:59,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:27:59,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:27:59,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:27:59,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:27:59,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:27:59,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:27:59,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:27:59,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:27:59,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:27:59,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:27:59,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:27:59,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:27:59,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:27:59,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:27:59,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:27:59,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:27:59,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:27:59,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:27:59,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:27:59,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:27:59,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:27:59,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:27:59,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:27:59,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:27:59,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:27:59,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:27:59,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:27:59,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:27:59,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:28:00,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:28:00,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:28:00,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:28:00,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:28:00,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:28:00,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:28:00,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:28:00,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:28:00,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:28:00,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:28:00,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:28:00,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:28:00,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:28:00,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:28:00,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:28:00,028   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:28:00,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:28:00,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:28:00,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:28:00,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:28:00,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:28:00,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:28:00,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:28:00,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:28:00,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:28:00,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:28:00,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:28:00,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:28:00,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:28:00,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:28:00,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:28:00,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:28:00,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:28:00,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:28:00,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:28:00,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:28:00,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:28:00,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:28:00,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:28:00,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:28:00,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:28:00,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:28:00,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:28:00,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:28:00,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:28:00,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:28:00,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:28:00,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:28:00,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:28:00,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:28:00,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:28:00,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:28:00,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:28:00,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:28:00,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:28:00,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:28:00,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:28:00,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:28:00,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:28:00,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:28:00,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:28:00,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:28:00,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:28:00,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:28:00,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:28:00,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:28:00,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:28:00,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:28:00,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:28:00,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:28:00,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:28:00,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:28:00,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:28:00,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:28:00,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:28:00,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:28:00,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:28:00,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:28:00,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:28:00,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:28:00,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:28:00,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:28:00,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:28:00,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:28:00,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:28:00,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:28:00,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:28:00,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:28:00,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:28:00,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:28:00,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:28:00,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:28:00,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:28:00,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:28:00,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:28:00,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:28:00,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:28:00,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:28:00,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:00,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:00,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:00,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:00,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:00,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:00,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:00,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:00,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:00,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:00,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:00,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:00,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:00,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:00,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:00,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:00,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:00,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:00,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:00,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:00,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:00,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:00,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:00,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:00,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:00,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:00,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:00,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:00,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:00,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:00,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:00,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:00,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:00,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:00,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:00,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:00,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:00,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:00,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:00,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:00,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:00,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:00,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:00,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:00,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:00,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:00,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:00,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:00,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:00,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:00,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:00,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:00,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:00,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:00,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:00,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:00,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:00,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:00,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:00,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:00,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:00,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:00,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:00,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:00,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:00,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:00,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:00,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:00,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:00,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:00,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:00,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:00,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:00,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:00,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:00,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:00,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:00,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:00,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:00,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:00,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:00,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:00,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:00,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:00,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:00,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:00,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:00,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:00,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:00,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:00,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:00,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:00,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:00,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:00,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:00,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:00,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:00,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:00,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:00,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:00,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:00,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:00,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:00,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:00,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:00,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:00,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:00,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:00,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:00,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:00,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:00,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:00,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:00,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:00,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:00,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:00,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:28:00,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:28:00,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:28:00,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:28:00,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:28:00,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:28:00,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:28:00,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:28:00,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:28:00,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:28:00,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:28:00,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:28:00,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:28:00,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:28:00,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:28:00,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:28:00,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:28:00,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:28:00,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:28:00,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:28:00,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:28:00,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:28:00,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:28:00,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:28:00,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:28:00,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:28:00,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:28:00,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:28:00,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:28:00,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:28:00,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:28:00,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:28:00,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:28:00,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:28:00,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:28:00,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:28:00,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:28:00,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:28:00,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:28:00,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:28:00,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:28:00,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:28:00,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:28:00,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:28:00,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:28:00,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:28:00,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:28:00,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:28:00,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:28:00,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:28:00,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:28:00,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:28:00,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:28:00,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:28:00,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:28:00,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:28:00,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:28:00,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:28:00,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:28:00,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:28:00,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:28:00,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:28:00,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:28:00,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:28:00,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:28:00,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:28:00,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:28:00,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:28:00,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:28:00,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:28:00,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:28:00,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:28:00,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:28:00,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:28:00,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:28:00,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:28:00,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:28:00,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:28:00,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:28:00,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:28:00,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:28:00,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:28:00,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:28:00,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:28:00,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:28:00,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:28:00,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:28:00,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:28:00,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:28:00,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:28:00,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:28:00,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:28:00,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:28:00,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:28:00,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:28:00,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:28:00,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:28:00,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:28:00,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:28:00,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:28:00,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:28:00,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:28:00,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:28:00,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:28:00,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:28:00,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:28:00,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:28:00,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:28:00,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:28:00,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:28:00,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:28:00,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:28:00,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:28:00,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:28:00,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:28:00,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:28:00,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:28:00,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:28:00,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:28:00,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:28:00,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:28:00,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:28:00,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:28:00,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:28:00,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:28:00,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:28:00,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:28:00,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:28:00,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:28:00,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:28:00,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:28:00,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:28:00,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:28:00,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:28:00,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:28:00,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:28:00,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:28:00,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:28:00,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:28:00,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:28:00,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:28:00,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:28:00,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:28:00,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:28:00,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:28:00,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:28:00,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:28:00,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:28:00,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:28:00,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:28:00,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:28:00,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:28:00,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:28:00,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:28:00,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:28:00,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:28:00,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:28:00,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:28:00,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:28:00,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:28:00,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:28:00,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:28:00,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:28:00,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:28:00,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:28:00,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:28:00,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:28:00,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:28:00,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:28:00,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:28:00,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:28:00,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:28:00,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:28:00,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:28:00,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:28:00,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:28:00,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:28:00,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:28:00,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:28:00,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:28:00,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:28:00,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:28:00,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:28:00,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:28:00,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:28:00,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:28:00,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:28:00,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:28:00,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:28:00,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:28:00,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:28:00,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:28:00,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:28:00,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:28:00,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:28:00,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:28:00,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:28:00,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:28:00,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:28:00,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:28:00,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:28:00,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:28:00,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:28:00,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:28:00,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:28:00,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:28:00,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:28:00,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:28:00,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:28:00,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:28:00,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:28:00,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:28:00,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:28:00,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:28:00,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:28:00,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:28:00,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:28:00,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:28:00,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:28:00,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:28:00,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:28:00,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:28:00,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:28:00,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:28:00,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:28:00,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:28:00,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:28:00,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:28:00,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:28:00,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:28:00,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:28:00,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:28:00,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:28:00,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:28:00,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:28:00,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:28:00,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:28:00,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:28:00,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:28:00,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:28:00,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:28:00,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:28:00,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:28:00,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:28:00,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:28:00,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:28:00,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:28:00,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:28:00,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:28:00,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:28:00,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:28:00,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:28:00,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:28:00,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:28:00,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:28:00,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:28:00,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:28:00,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:28:00,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:28:00,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:28:00,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:28:00,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:28:00,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:28:00,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:28:00,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:28:00,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:28:00,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:28:00,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:28:00,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:28:00,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:28:00,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:28:00,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:28:00,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:28:00,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:28:00,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:28:00,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:28:00,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:28:00,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:28:00,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:28:00,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:28:00,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:28:00,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:28:00,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:28:00,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:28:00,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:28:00,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:28:00,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:28:00,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:28:00,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:28:00,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:28:00,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:28:00,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:28:00,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:28:00,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:28:00,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:28:00,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:28:00,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:28:00,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:28:00,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:28:00,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:28:01,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:28:01,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:28:01,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:28:01,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:28:01,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:28:01,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:28:01,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:28:01,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:28:01,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:28:01,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:28:01,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:28:01,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:28:01,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:28:01,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:28:01,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:28:01,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:28:01,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:28:01,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:28:01,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:28:01,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:28:01,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:28:01,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:28:01,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:28:01,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:28:01,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:28:01,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:28:01,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:28:01,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:28:01,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:28:01,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:28:01,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:28:01,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:28:01,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:28:01,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:28:01,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:28:01,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:28:01,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:28:01,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:28:01,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:28:01,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:28:01,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:28:01,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:28:01,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:28:01,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:28:01,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:28:01,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:28:01,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:28:01,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:28:01,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:28:01,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:28:01,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:28:01,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:28:01,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:28:01,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:28:01,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:28:01,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:28:01,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:28:01,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:28:01,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:28:01,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:28:01,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:28:01,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:28:01,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:28:01,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:28:01,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:28:01,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:28:01,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:28:01,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:28:01,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:28:01,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:28:01,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:28:01,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:28:01,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:28:01,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:28:01,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:28:01,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:28:01,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:28:01,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:28:01,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:28:01,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:28:01,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:28:01,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:28:01,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:28:01,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:28:01,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:28:01,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:28:01,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:28:01,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:28:01,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:28:01,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:28:01,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:28:01,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:28:01,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:28:01,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:28:01,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:28:01,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:28:01,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:01,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:01,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:28:01,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:28:01,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:28:01,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:28:01,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:28:01,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:28:01,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:28:01,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:28:01,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:28:01,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:28:01,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:28:01,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:28:01,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:28:01,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:28:01,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:28:01,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:28:01,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:28:01,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:28:01,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:01,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:01,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:28:01,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:28:01,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:28:01,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:28:01,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:28:01,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:28:01,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:28:01,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:28:01,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:28:01,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:28:01,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:28:01,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:28:01,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:01,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:01,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:01,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:01,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:01,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:01,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:28:01,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:28:01,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:01,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:01,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:01,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:01,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:28:01,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:28:01,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:01,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:01,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:28:01,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:28:01,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:28:01,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:28:01,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:28:01,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:28:01,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:28:01,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:28:01,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:01,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:01,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:28:01,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:28:01,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:28:01,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:28:01,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:01,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:01,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:28:01,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:28:01,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:28:01,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:28:01,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:28:01,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:28:01,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:28:01,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:28:01,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:01,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:01,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:28:01,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:28:01,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:28:01,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:28:01,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:28:01,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:28:01,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:28:01,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:28:01,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:28:01,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:28:01,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:28:01,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:28:01,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:01,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:01,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:28:01,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:28:01,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:28:01,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:28:01,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:28:01,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:28:01,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:28:01,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:28:01,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:28:01,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:28:01,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:28:01,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:28:01,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:28:01,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:28:01,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:28:01,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:28:01,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:28:01,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:28:01,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:28:01,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:28:01,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:01,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:01,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:28:01,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:28:01,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:28:01,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:28:01,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:01,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:01,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:28:01,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:28:01,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:28:01,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:28:01,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:01,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:01,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:28:01,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:28:01,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:28:01,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:28:01,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:28:01,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:28:01,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:28:01,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:28:01,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:28:01,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:28:01,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:28:01,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:28:01,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:01,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:01,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:28:01,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:28:01,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:28:01,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:28:01,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:28:01,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:28:01,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:28:01,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:28:01,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:28:01,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:28:01,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:01,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:01,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:28:01,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:28:01,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:01,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:01,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:01,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:01,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:28:01,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:28:01,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:01,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:01,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:28:01,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:28:01,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:01,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:01,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:28:01,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:28:01,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:28:01,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:28:01,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:28:01,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:28:01,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:28:01,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:28:01,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:01,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:01,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:28:01,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:28:01,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:01,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:01,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:28:01,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:28:01,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:28:01,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:28:01,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:28:01,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:28:01,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:01,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:01,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:01,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:01,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:28:01,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:28:01,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:28:01,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:28:01,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:01,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:01,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:28:01,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:28:01,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:28:01,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:28:01,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:01,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:01,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:01,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:01,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:28:01,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:28:01,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:28:01,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:28:01,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:28:01,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:28:01,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:01,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:01,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:01,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:01,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:28:01,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:28:01,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:01,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:01,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:28:01,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:28:01,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:01,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:01,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:01,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:01,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:28:01,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:28:01,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:28:01,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:28:01,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:28:01,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:28:01,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:28:01,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:28:01,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:28:01,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:28:01,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:28:01,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:28:01,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:28:01,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:28:01,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:01,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:01,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:01,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:01,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:01,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:01,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:01,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:01,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:01,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:01,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:01,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:01,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:01,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:01,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:01,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:01,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:01,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:01,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:01,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:01,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:01,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:01,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:01,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:01,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:01,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:01,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:01,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:01,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:01,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:01,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:01,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:01,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:01,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:01,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:01,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:01,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:01,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:01,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:01,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:01,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:01,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:01,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:28:01,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:28:01,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:28:01,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:28:01,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:28:01,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:28:01,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:28:01,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:28:01,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:28:01,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:28:01,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:28:01,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:28:01,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:28:01,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:28:01,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:28:01,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:28:01,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:28:01,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:28:01,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:28:01,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:28:01,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:28:01,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:28:01,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:28:01,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:28:01,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:28:01,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:28:01,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:28:01,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:28:01,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:28:01,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:28:01,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:28:01,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:28:01,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:28:01,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:28:01,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:28:01,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:28:01,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:28:01,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:28:01,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:28:01,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:28:01,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:28:01,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:28:01,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:28:01,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:28:01,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:28:01,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:28:01,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:28:01,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:28:01,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:28:01,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:28:01,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:28:01,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:28:01,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:28:01,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:28:01,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:28:01,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:28:01,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:28:01,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:28:01,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:28:01,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:28:01,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:28:01,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:28:01,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:28:01,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:28:01,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:28:01,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:28:01,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:28:01,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:28:01,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:28:01,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:28:01,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:28:01,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:28:01,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:28:01,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:28:01,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:28:01,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:28:01,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:28:01,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:28:01,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:28:01,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:28:01,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:28:01,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:28:01,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:28:01,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:28:01,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:28:01,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:28:01,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:28:01,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:28:01,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:28:01,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:28:01,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:28:01,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:28:01,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:28:01,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:28:01,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:28:01,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:28:01,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:28:01,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:28:01,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:28:01,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:28:01,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:28:01,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:28:01,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:28:01,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:28:01,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:28:01,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:28:01,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:28:01,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:28:01,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:28:01,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:28:01,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:28:01,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:28:01,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:28:01,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:28:01,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:28:01,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:28:01,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:01,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:01,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:01,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:01,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:01,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:01,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:01,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:01,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:01,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:01,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:01,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:01,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:01,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:01,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:01,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:01,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:01,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:01,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:01,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:01,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:01,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:01,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:02,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:02,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:02,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:02,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:02,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:02,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:02,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:02,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:02,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:02,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:02,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:02,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:02,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:02,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:02,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:02,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:02,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:02,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:02,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:02,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:02,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:02,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:02,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:02,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:02,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:02,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:02,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:02,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:02,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:02,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:02,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:02,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:02,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:02,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:28:02,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:28:02,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:28:02,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:28:02,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:28:02,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:28:02,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:28:02,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:28:02,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:28:02,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:28:02,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:28:02,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:28:02,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:28:02,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:28:02,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:28:02,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:28:02,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:28:02,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:28:02,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:28:02,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:28:02,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:28:02,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:28:02,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:28:02,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:28:02,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:28:02,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:28:02,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:28:02,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:28:02,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:28:02,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:28:02,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:28:02,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:28:02,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:28:02,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:28:02,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:28:02,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:28:02,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:28:02,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:28:02,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:28:02,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:28:02,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:28:02,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:28:02,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:28:02,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:28:02,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:28:02,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:28:02,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:28:02,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:28:02,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:28:02,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:28:02,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:28:02,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:28:02,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:28:02,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:28:02,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:28:02,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:28:02,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:28:02,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:28:02,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:28:02,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:28:02,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:28:02,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:28:02,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:28:02,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:28:02,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:28:02,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:28:02,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:28:02,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:28:02,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:28:02,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:28:02,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:28:02,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:28:02,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:28:02,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:28:02,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:28:02,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:28:02,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:28:02,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:28:02,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:28:02,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:28:02,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:28:02,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:28:02,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:28:02,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:28:02,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:28:02,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:28:02,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:28:02,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:28:02,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:28:02,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:28:02,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:28:02,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:28:02,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:28:02,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:28:02,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:28:02,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:28:02,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:02,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:02,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:28:02,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:28:02,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:28:02,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:28:02,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:28:02,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:28:02,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:28:02,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:28:02,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:28:02,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:28:02,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:28:02,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:28:02,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:28:02,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:28:02,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:02,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:02,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:28:02,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:28:02,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:02,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:02,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:28:02,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:28:02,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:02,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:02,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:28:02,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:28:02,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:28:02,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:28:02,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:02,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:02,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:28:02,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:28:02,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:28:02,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:28:02,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:28:02,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:28:02,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:28:02,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:28:02,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:28:02,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:28:02,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:02,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:02,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:28:02,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:28:02,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:28:02,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:28:02,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:28:02,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:28:02,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:28:02,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:28:02,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:28:02,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:28:02,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:28:02,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:28:02,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:02,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:02,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:28:02,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:28:02,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:28:02,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:28:02,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:28:02,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:28:02,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:28:02,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:28:02,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:28:02,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:28:02,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:02,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:02,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:28:02,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:28:02,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:28:02,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:28:02,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:28:02,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:28:02,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:28:02,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:28:02,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:28:02,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:28:02,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:28:02,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:28:02,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:28:02,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:28:02,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:28:02,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:28:02,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:28:02,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:28:02,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:28:02,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:28:02,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:28:02,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:28:02,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:28:02,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:28:02,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:28:02,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:28:02,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:28:02,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:28:02,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:28:02,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:28:02,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:02,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:02,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:02,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:02,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:02,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:02,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:02,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:02,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:02,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:02,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:28:02,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:28:02,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:02,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:02,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:02,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:02,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:02,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:02,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:02,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:02,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:28:02,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:28:02,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:28:02,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:28:02,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:02,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:02,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:02,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:02,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:28:02,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:28:02,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:02,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:02,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:02,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:02,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:02,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:02,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:02,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:02,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:02,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:02,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:02,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:02,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:02,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:02,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:02,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:02,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:02,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:02,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:28:02,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:28:02,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:02,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:02,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:02,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:02,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:28:02,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:28:02,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:02,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:02,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:28:02,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:28:02,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:28:02,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:28:02,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:02,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:02,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:02,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:02,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:28:02,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:28:02,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:03,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:03,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:03,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:03,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:03,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:03,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:03,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:03,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:03,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:03,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:03,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:03,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:03,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:03,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:28:03,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:28:03,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:28:03,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:28:03,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:28:03,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:28:03,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:03,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:03,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:03,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:03,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:03,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:03,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:03,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:03,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:03,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:03,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:03,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:03,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:03,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:03,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:28:03,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:28:03,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:03,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:03,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:03,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:03,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:03,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:03,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:03,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:03,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:03,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:03,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:03,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:03,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:03,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:03,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:03,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:03,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:03,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:03,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:28:03,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:28:03,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:03,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:03,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:03,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:03,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:03,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:03,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:03,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:03,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:03,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:03,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:03,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:03,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:03,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:03,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:03,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:03,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:03,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:03,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:03,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:03,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:03,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:03,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:28:03,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:28:03,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:03,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:03,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:28:03,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:28:03,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:03,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:03,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:03,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:03,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:03,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:03,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:28:03,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:28:03,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:03,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:03,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:28:03,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:28:03,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:03,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:03,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:03,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:03,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:28:03,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:28:03,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:03,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:03,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:28:03,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:28:03,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:03,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:03,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:03,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:03,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:03,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:03,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:03,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:03,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:03,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:03,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:03,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:03,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:03,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:03,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:03,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:03,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:03,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:03,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:03,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:03,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:03,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:03,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:03,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:03,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:03,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:03,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:03,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:03,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:03,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:03,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:03,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:03,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:03,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:03,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:03,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:03,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:03,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:03,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:03,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:03,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:03,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:03,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:03,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:03,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:03,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:03,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:03,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:03,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:03,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:03,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:03,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:03,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:03,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:03,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:03,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:03,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:03,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:03,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:03,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:03,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:03,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:03,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:03,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:03,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:03,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:03,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:03,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:03,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:03,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:03,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:03,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:03,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:03,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:03,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:03,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:03,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:03,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:03,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:28:03,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:28:03,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:28:03,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:28:03,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:28:03,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:28:03,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:28:03,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:28:03,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:28:03,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:28:03,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:28:03,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:28:03,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:28:03,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:28:03,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:28:03,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:28:03,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:28:03,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:28:03,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:28:03,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:28:03,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:28:03,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:28:03,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:28:03,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:28:03,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:28:03,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:28:03,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:28:03,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:28:03,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:28:03,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:28:03,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:28:03,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:28:03,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:28:03,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:28:03,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:28:03,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:28:03,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:28:03,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:28:03,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:28:03,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:28:03,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:28:03,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:28:03,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:28:03,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:28:03,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:28:03,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:28:03,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:28:03,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:28:03,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:28:03,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:28:03,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:28:03,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:28:03,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:28:03,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:28:03,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:28:03,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:28:03,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:28:03,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:28:03,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:28:03,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:28:03,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:28:03,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:28:03,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:28:03,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:28:03,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:28:03,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:28:03,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:28:03,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:28:03,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:28:03,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:28:03,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:28:03,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:28:03,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:28:03,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:28:03,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:28:03,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:28:03,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:28:03,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:28:03,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:28:03,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:28:03,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:28:03,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:28:03,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:28:03,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:28:03,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:28:03,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:28:03,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:28:03,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:28:03,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:28:03,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:28:03,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:28:03,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:28:03,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:28:03,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:28:03,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:28:03,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:28:03,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:28:03,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:28:03,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:28:03,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:28:03,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:28:03,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:28:03,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:28:03,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:28:03,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:28:03,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:28:03,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:28:03,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:28:03,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:28:03,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:28:03,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:28:03,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:28:03,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:28:03,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:28:03,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:28:03,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:28:03,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:28:03,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:28:03,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:28:03,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:28:03,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:28:03,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:28:03,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:28:03,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:28:03,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:28:03,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:28:03,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:28:03,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:28:03,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:28:03,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:28:03,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:28:03,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:28:03,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:28:03,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:28:03,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:28:03,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:28:03,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:28:03,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:28:03,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:03,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:03,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:03,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:03,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:03,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:03,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:03,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:03,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:03,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:03,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:03,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:03,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:03,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:03,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:03,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:03,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:03,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:03,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:03,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:03,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:03,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:03,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:03,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:03,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:03,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:03,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:03,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:03,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:03,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:03,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:03,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:03,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:03,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:03,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:03,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:03,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:03,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:03,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:03,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:03,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:03,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:03,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:03,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:03,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:03,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:03,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:03,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:03,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:03,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:03,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:03,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:03,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:03,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:03,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:03,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:03,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:03,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:03,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:03,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:03,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:03,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:03,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:03,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:03,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:03,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:03,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:03,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:03,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:03,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:03,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:03,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:03,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:03,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:03,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:03,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:03,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:03,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:03,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:03,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:03,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:03,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:03,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:03,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:03,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:03,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:03,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:03,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:03,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:28:03,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:28:03,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:03,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:03,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:03,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:03,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:28:03,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:28:03,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:03,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:03,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:03,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:03,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:28:03,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:28:03,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:03,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:03,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:28:03,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:28:03,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:28:03,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:28:03,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:03,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:03,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:03,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:03,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:28:03,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:28:03,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:03,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:03,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:28:03,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:28:03,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:28:03,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:28:03,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:28:03,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:28:03,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:28:03,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:28:03,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:28:03,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:28:03,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:28:03,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:28:03,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:28:03,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:28:03,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:28:03,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:28:03,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:28:03,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:28:03,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:03,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:03,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:03,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:03,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:03,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:03,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:28:03,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:28:03,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:28:03,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:28:03,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:28:03,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:28:03,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:28:03,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:28:03,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:28:03,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:28:03,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:28:03,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:28:03,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:28:03,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:28:03,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:28:03,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:28:03,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:28:03,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:28:03,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:28:03,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:28:03,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:28:03,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:28:03,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:28:03,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:28:03,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:28:03,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:28:03,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:28:03,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:28:03,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:28:03,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:28:03,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:28:03,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:28:03,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:28:03,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:28:03,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:28:03,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:28:03,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:28:03,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:28:03,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:28:03,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:28:03,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:28:03,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:28:03,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:28:03,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:28:03,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:28:03,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:28:03,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:28:03,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:28:03,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:28:03,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:28:03,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:28:03,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:28:03,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:28:03,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:28:03,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:28:03,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:28:03,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:28:03,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:28:03,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:28:03,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:28:03,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:28:03,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:28:03,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:28:03,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:28:03,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:28:03,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:28:03,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:28:03,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:28:03,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:28:03,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:28:03,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:28:03,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:28:03,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:28:03,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:28:03,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:28:03,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:28:03,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:28:03,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:28:03,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:28:03,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:28:03,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:28:03,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:28:03,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:28:03,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:28:03,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:28:03,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:28:03,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:28:03,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:28:03,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:28:03,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:28:03,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:28:04,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:28:04,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:28:04,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:28:04,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:28:04,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:28:04,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:28:04,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:28:04,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:28:04,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:28:04,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:28:04,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:28:04,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:28:04,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:28:04,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:28:04,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:28:04,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:28:04,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:28:04,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:28:04,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:28:04,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:28:04,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:28:04,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:28:04,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:28:04,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:28:04,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:28:04,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:28:04,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:28:04,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:28:04,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:28:04,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:28:04,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:28:04,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:28:04,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:28:04,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:28:04,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:28:04,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:04,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:04,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:04,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:04,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:04,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:04,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:04,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:04,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:04,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:04,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:04,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:04,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:04,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:04,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:04,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:04,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:04,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:04,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:04,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:04,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:04,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:04,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:28:04,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:28:04,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:28:04,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:28:04,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:28:04,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:28:04,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:28:04,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:28:04,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:28:04,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:28:04,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:28:04,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:28:04,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:28:04,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:28:04,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:28:04,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:28:04,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:28:04,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:28:04,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:28:04,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:28:04,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:28:04,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:28:04,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:28:04,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:28:04,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:28:04,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:28:04,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:28:04,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:28:04,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:28:04,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:28:04,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:04,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:04,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:04,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:04,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:28:04,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:28:04,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:28:04,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:28:04,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:28:04,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:28:04,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:28:04,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:28:04,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:04,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:04,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:04,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:04,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:28:04,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:28:04,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:28:04,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:28:04,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:28:04,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:28:04,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:28:04,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:28:04,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:28:04,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:28:04,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:04,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:04,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:28:04,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:28:04,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:28:04,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:28:04,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:28:04,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:28:04,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:28:04,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:28:04,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:04,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:04,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:28:04,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:28:04,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:28:04,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:28:04,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:04,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:04,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:04,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:04,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:28:04,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:28:04,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:04,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:04,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:04,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:04,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:28:04,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:28:04,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:28:04,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:28:04,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:28:04,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:28:04,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:04,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:04,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:28:04,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:28:04,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:28:04,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:28:04,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:28:04,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:28:04,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:04,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:04,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:28:04,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:28:04,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:04,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:04,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:04,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:04,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:28:04,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:28:04,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:28:04,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:28:04,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:28:04,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:28:04,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:28:04,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:28:04,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:04,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:04,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:04,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:04,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:04,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:04,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:28:04,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:28:04,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:28:04,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:28:04,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:28:04,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:28:04,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:28:04,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:28:04,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:28:04,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:28:04,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:28:04,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:28:04,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:28:04,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:28:04,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:04,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:04,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:04,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:04,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:28:04,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:28:04,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:28:04,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:28:04,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:28:04,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:28:04,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:28:04,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:28:04,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:28:04,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:28:04,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:04,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:04,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:28:04,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:28:04,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:04,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:04,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:28:04,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:28:04,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:28:04,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:28:04,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:28:04,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:28:04,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:28:04,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:28:04,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:04,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:04,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:04,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:04,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:04,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:04,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:04,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:04,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:04,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:04,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:28:04,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:28:04,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:04,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:04,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:04,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:04,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:04,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:04,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:04,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:04,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:04,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:04,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:04,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:04,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:04,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:04,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:04,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:04,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:04,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:04,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:04,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:04,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:04,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:04,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:04,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:04,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:04,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:04,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:04,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:04,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:04,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:04,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:04,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:04,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:04,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:04,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:28:04,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:28:04,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:28:04,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:28:04,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:28:04,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:28:04,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:04,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:04,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:28:04,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:28:04,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:04,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:04,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:28:04,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:28:04,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:04,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:04,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:28:04,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:28:04,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:28:04,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:28:04,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:28:04,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:28:04,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:04,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:04,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:04,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:04,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:28:04,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:28:04,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:04,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:04,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:28:04,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:28:04,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:28:04,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:28:04,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:28:04,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:28:04,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:28:04,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:28:04,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:04,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:04,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:04,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:04,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:28:04,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:28:04,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:04,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:04,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:28:04,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:28:04,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:28:04,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:28:04,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:04,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:04,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:28:04,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:28:04,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:04,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:04,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:04,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:04,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:04,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:04,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:28:04,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:28:04,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:28:04,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:28:04,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:04,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:04,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:04,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:04,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:04,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:04,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:28:04,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:28:04,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:04,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:04,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:04,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:04,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:28:04,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:28:04,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:04,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:04,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:28:04,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:28:04,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:04,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:04,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:04,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:04,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:28:04,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:28:04,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:04,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:04,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:04,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:04,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:28:04,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:28:04,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:28:04,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:28:04,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:04,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:04,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:28:04,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:28:04,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:28:04,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:28:04,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:28:04,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:28:04,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:04,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:04,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:04,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:04,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:28:04,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:28:04,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:04,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:04,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:04,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:04,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:04,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:04,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:04,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:04,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:04,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:04,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:28:04,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:28:04,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:04,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:04,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:04,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:04,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:04,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:04,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:28:04,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:28:04,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:28:04,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:28:04,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:04,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:04,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:04,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:04,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:04,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:04,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:04,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:04,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:28:04,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:28:04,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:28:04,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:28:04,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:04,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:04,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:04,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:04,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:28:04,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:28:04,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:04,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:04,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:04,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:04,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:28:04,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:28:04,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:04,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:04,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:04,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:04,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:04,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:04,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:04,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:04,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:28:04,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:28:04,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:28:04,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:28:04,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:28:04,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:28:04,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:04,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:04,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:04,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:04,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:04,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:04,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:28:04,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:28:04,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:28:04,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:28:04,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:28:04,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:28:04,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:28:04,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:28:04,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:28:04,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:28:04,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:04,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:04,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:04,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:04,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:04,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:04,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:28:04,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:28:04,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:04,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:04,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:04,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:04,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:04,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:04,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:28:04,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:28:04,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:04,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:04,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:04,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:04,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:04,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:04,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:04,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:04,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:28:04,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:28:04,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:28:04,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:28:04,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:28:04,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:28:04,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:28:04,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:28:04,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:04,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:04,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:04,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:04,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:04,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:04,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:04,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:04,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:28:04,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:28:04,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:28:04,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:28:04,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:04,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:04,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:04,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:04,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:28:04,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:28:04,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:04,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:04,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:28:04,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:28:04,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:04,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:04,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:04,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:04,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:28:04,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:28:04,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:28:04,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:28:04,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:04,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:04,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:04,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:04,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:04,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:04,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:04,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:04,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:04,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:04,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:04,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:04,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:04,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:04,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:04,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:04,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:28:04,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:28:04,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:04,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:04,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:04,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:04,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:04,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:04,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:04,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:04,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:04,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:04,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:04,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:04,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:28:04,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:28:04,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:28:04,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:28:04,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:28:04,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:28:05,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:05,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:05,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:05,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:05,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:28:05,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:28:05,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:28:05,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:28:05,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:05,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:05,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:05,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:05,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:28:05,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:28:05,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:05,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:05,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:05,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:05,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:28:05,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:28:05,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:28:05,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:28:05,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:28:05,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:28:05,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:28:05,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:28:05,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:05,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:05,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:28:05,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:28:05,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:28:05,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:28:05,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:05,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:05,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:05,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:05,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:05,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:05,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:28:05,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:28:05,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:05,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:05,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:05,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:05,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:28:05,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:28:05,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:28:05,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:28:05,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:28:05,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:28:05,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:28:05,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:28:05,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:05,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:05,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:05,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:05,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:05,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:05,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:05,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:05,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:05,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:05,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:05,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:05,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:05,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:05,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:05,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:05,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:05,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:05,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:28:05,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:28:05,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:28:05,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:28:05,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:05,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:05,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:05,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:05,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:05,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:05,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:05,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:05,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:05,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:05,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:05,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:05,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:05,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:05,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:05,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:05,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:05,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:05,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:05,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:05,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:05,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:05,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:05,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:05,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:05,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:05,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:05,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:05,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:05,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:05,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:05,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:05,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:05,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:05,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:05,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:05,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:28:05,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:28:05,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:05,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:05,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:05,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:05,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:05,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:05,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:28:05,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:28:05,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:05,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:05,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:05,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:05,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:05,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:05,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:05,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:05,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:05,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:05,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:05,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:05,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:05,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:05,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:05,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:05,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:05,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:05,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:05,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:05,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:05,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:05,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:05,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:05,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:05,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:05,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:05,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:05,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:05,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:05,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:28:05,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:28:05,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:05,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:05,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:05,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:05,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:28:05,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:28:05,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:05,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:05,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:05,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:05,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:05,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:05,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:05,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:05,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:05,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:05,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:05,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:05,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:05,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:05,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:05,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:05,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:05,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:05,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:05,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:05,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:05,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:05,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:05,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:05,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:05,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:05,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:05,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:05,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:05,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:05,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:05,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:05,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:05,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:05,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:05,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:05,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:05,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:05,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:05,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:05,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:28:05,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:28:05,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:05,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:05,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:05,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:05,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:05,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:05,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:28:05,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:28:05,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:05,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:05,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:05,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:05,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:05,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:05,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:05,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:05,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:05,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:05,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:05,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:05,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:05,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:05,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:05,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:05,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:05,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:05,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:05,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:05,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:28:05,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:28:05,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:05,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:05,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:05,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:05,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:05,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:05,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:28:05,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:28:05,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:05,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:05,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:05,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:05,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:05,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:05,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:05,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:05,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:28:05,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:28:05,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:05,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:05,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:05,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:05,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:05,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:05,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:05,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:05,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:05,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:05,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:05,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:05,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:28:05,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:28:05,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:05,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:05,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:05,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:05,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:05,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:05,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:05,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:05,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:05,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:05,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:05,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:05,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:05,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:05,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:05,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:05,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:05,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:05,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:05,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:05,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:05,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:05,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:28:05,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:28:05,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:05,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:05,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:05,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:05,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:05,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:05,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:05,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:05,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:05,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:05,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:28:05,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:28:05,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:05,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:05,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:28:05,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:28:05,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:28:05,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:28:05,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:05,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:05,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:05,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:05,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:05,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:05,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:05,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:05,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:05,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:05,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:28:05,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:28:05,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:05,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:05,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:05,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:05,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:05,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:05,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:05,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:05,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:05,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:05,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:05,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:05,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:05,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:05,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:05,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:05,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:05,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:05,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:05,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:05,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:05,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:05,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:05,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:05,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:05,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:05,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:05,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:05,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:28:05,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:28:05,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:05,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:05,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:05,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:05,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:28:05,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:28:05,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:05,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:05,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:05,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:05,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:05,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:05,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:05,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:05,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:05,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:05,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:05,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:05,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:05,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:05,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:28:05,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:28:05,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:05,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:05,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:05,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:05,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:05,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:05,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:05,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:05,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:05,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:05,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:28:05,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:28:05,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:05,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:05,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:05,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:05,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:28:05,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:28:05,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:05,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:05,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:05,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:05,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:05,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:05,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:05,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:05,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:28:05,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:28:05,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:28:05,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:28:05,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:05,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:05,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:05,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:05,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:05,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:05,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:05,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:05,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:05,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:05,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:05,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:05,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:05,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:05,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:05,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:05,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:05,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:05,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:05,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:05,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:05,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:05,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:05,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:05,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:05,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:05,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:05,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:05,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:05,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:05,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:05,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:05,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:05,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:05,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:05,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:05,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:05,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:05,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:28:05,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:28:05,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:28:05,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:28:05,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:05,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:05,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:05,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:05,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:05,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:05,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:05,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:05,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:05,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:05,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:05,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:05,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:05,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:05,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:05,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:05,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:05,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:05,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:28:05,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:28:05,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:05,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:05,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:28:05,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:28:05,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:28:05,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:28:05,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:05,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:05,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:05,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:05,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:05,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:05,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:28:05,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:28:05,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:28:05,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:28:05,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:05,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:05,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:28:05,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:28:05,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:05,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:05,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:05,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:05,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:05,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:05,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:05,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:05,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:05,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:05,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:28:05,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:28:05,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:05,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:05,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:05,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:05,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:05,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:05,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:05,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:05,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:05,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:05,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:05,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:05,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:05,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:05,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:05,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:05,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:05,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:05,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:05,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:05,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:05,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:05,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:05,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:05,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:05,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:05,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:05,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:05,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:05,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:05,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:05,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:05,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:05,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:05,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:05,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:05,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:05,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:05,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:05,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:05,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:05,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:05,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:05,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:05,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:28:05,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:28:05,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:28:05,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:28:05,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:28:05,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:28:05,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:28:05,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:28:05,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:28:05,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:28:05,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:05,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:05,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:05,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:05,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:28:06,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:28:06,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:06,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:06,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:28:06,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:28:06,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:06,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:06,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:28:06,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:28:06,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:28:06,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:28:06,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:06,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:06,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:06,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:06,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:06,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:06,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:06,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:06,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:06,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:06,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:06,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:06,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:06,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:06,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:06,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:06,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:06,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:06,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:06,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:06,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:06,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:06,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:06,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:06,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:06,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:06,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:06,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:06,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:06,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:06,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:06,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:06,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:06,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:06,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:06,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:06,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:06,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:06,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:06,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:06,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:06,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:06,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:06,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:06,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:06,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:06,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:06,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:06,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:06,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:06,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:06,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:06,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:06,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:06,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:06,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:06,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:06,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:06,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:06,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:06,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:06,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:06,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:06,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:06,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:06,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:06,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:06,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:06,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:06,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:06,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:06,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:06,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:06,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:06,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:06,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:06,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:06,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:06,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:06,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:06,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:06,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:06,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:06,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:06,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:06,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:06,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:06,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:06,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:06,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:06,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:06,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:06,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:06,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:06,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:06,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:06,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:06,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:06,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:06,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:06,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:06,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:06,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:06,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:06,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:06,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:06,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:06,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:06,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:06,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:06,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:06,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:06,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:06,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:06,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:06,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:06,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:06,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:06,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:06,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:06,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:06,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:06,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:06,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:06,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:06,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:06,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:06,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:06,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:06,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:06,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:06,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:06,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:06,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:06,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:06,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:06,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:06,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:06,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:06,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:06,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:06,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:06,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:06,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:06,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:06,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:06,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:06,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:06,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:06,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:06,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:06,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:06,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:06,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:06,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:06,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:06,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:06,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:06,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:06,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:06,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:06,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:06,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:06,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:06,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:06,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:06,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:06,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:06,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:06,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:06,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:06,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:06,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:06,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:06,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:06,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:06,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:06,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:06,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:06,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:06,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:06,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:06,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:06,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:06,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:06,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:06,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:06,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:06,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:06,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:06,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:06,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:06,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:06,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:06,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:06,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:06,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:06,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:06,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:06,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:06,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:06,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:06,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:06,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:06,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:06,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:06,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:06,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:06,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:06,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:06,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:06,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:06,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:06,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:06,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:06,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:06,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:06,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:06,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:06,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:06,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:06,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:06,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:06,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:06,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:06,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:06,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:06,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:06,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:06,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:06,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:06,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:06,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:06,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:06,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:06,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:06,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:06,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:06,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:06,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:06,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:06,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:06,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:06,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:06,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:06,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:06,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:06,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:06,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:06,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:06,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:06,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:06,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:06,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:06,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:06,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:06,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:06,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:06,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:06,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:06,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:06,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:06,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:06,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:06,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:06,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:06,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:06,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:06,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:06,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:06,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:06,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:06,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:06,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:06,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:06,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:06,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:06,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:06,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:06,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:06,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:06,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:06,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:06,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:06,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:06,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:06,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:06,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:06,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:06,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:06,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:06,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:06,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:06,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:06,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:06,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:06,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:06,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:06,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:06,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:06,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:06,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:06,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:06,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:06,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:06,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:06,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:06,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:06,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:06,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:06,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:06,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:06,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:06,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:06,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:06,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:06,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:06,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:06,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:06,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:06,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:06,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:06,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:06,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:06,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:06,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:06,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:06,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:06,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:06,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:06,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:06,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:06,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:06,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:06,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:06,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:06,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:06,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:06,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:06,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:06,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:06,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:06,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:06,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:06,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:06,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:06,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:06,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:06,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:06,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:06,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:06,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:06,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:06,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:06,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:06,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:06,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:06,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:06,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:06,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:06,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:06,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:06,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:06,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:06,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:06,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:06,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:06,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:06,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:06,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:06,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:28:06,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:28:06,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:28:06,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:28:06,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:28:06,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:28:06,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:28:06,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:28:06,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:28:06,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:28:06,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:28:06,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:28:06,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:28:06,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:28:06,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:28:06,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:28:06,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:28:06,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:28:06,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:28:06,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:28:06,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:28:06,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:28:06,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:28:06,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:28:06,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:28:06,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:28:06,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:28:06,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:28:06,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:28:06,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:28:06,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:28:06,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:28:06,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:28:06,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:28:06,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:28:06,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:28:06,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:28:06,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:28:06,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:28:06,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:28:06,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:28:06,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:28:06,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:28:06,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:28:06,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:28:06,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:28:06,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:28:06,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:28:06,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:28:06,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:28:06,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:28:06,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:28:06,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:28:06,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:28:06,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:28:06,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:28:06,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:28:06,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:28:06,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:28:06,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:28:06,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:28:06,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:28:06,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:28:06,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:28:06,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:28:06,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:28:06,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:28:06,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:28:06,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:28:06,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:28:06,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:28:06,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:28:06,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:28:06,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:28:06,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:28:06,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:28:06,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:28:06,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:28:06,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:28:06,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:28:06,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:28:06,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:28:06,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:28:06,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:28:06,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:28:06,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:28:06,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:28:06,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:28:06,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:28:06,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:28:06,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:28:06,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:28:06,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:28:06,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:28:06,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:28:06,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:28:06,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:28:06,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:28:06,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:28:06,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:28:06,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:28:06,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:28:06,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:28:06,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:28:06,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:28:06,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:28:06,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:28:06,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:28:06,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:28:06,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:28:06,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:28:06,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:28:06,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:28:06,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:28:06,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:28:06,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:28:06,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:28:06,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:28:06,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:28:06,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:28:06,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:28:06,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:28:06,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:28:06,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:28:06,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:28:06,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:28:06,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:28:06,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:28:06,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:28:06,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:28:06,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:28:06,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:28:06,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:28:06,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:28:06,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:28:06,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:28:06,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:28:06,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:28:07,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:28:07,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:28:07,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:28:07,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:28:07,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:28:07,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:28:07,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:28:07,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:28:07,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:28:07,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:28:07,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:28:07,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:28:07,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:28:07,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:28:07,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:07,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:07,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:07,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:07,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:28:07,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:28:07,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:28:07,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:28:07,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:07,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:07,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:07,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:07,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:28:07,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:28:07,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:28:07,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:28:07,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:28:07,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:28:07,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:28:07,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:28:07,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:28:07,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:28:07,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:07,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:07,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:07,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:07,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:07,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:07,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:28:07,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:28:07,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:07,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:07,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:28:07,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:28:07,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:07,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:07,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:28:07,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:28:07,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:07,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:07,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:28:07,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:28:07,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:07,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:07,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:07,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:07,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:07,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:07,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:07,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:07,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:07,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:07,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:07,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:07,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:07,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:07,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:07,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:07,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:07,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:07,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:07,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:07,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:07,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:07,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:07,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:07,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:07,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:07,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:07,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:07,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:07,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:07,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:07,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:07,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:07,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:07,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:07,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:07,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:07,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:07,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:07,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:07,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:07,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:07,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:07,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:07,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:07,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:07,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:07,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:07,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:07,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:07,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:07,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:07,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:07,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:07,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:07,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:07,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:07,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:07,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:07,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:07,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:07,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:07,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:07,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:07,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:07,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:07,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:07,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:07,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:07,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:07,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:07,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:07,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:07,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:07,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:07,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:07,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:07,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:07,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:07,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:07,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:07,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:07,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:07,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:07,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:07,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:07,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:07,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:07,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:07,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:07,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:07,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:07,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:07,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:07,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:07,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:07,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:07,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:07,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:07,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:07,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:07,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:07,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:07,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:07,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:07,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:07,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:07,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:07,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:07,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:07,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:07,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:07,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:07,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:07,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:07,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:07,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:07,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:07,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:07,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:07,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:07,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:07,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:07,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:07,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:07,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:07,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:07,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:07,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:07,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:07,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:07,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:07,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:07,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:07,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:07,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:07,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:07,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:07,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:07,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:07,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:07,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:07,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:07,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:07,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:07,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:07,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:07,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:07,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:07,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:07,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:07,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:07,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:07,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:07,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:07,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:07,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:07,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:07,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:07,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:07,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:07,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:07,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:07,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:07,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:07,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:07,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:07,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:07,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:07,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:07,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:07,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:07,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:07,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:07,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:07,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:07,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:07,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:07,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:07,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:07,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:07,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:07,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:07,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:07,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:07,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:07,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:07,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:07,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:07,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:07,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:07,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:07,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:07,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:07,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:07,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:07,481   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:07,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:07,487   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:07,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:07,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:07,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:07,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:07,496   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:07,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:07,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:07,503   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:07,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:07,507   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:07,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:07,511   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:07,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:07,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:07,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:07,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:07,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:07,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:07,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:07,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:07,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:07,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:07,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:07,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:07,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:07,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:07,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:07,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:07,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:07,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:07,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:07,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:07,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:07,554   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:07,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:07,558   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:07,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:07,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:07,563   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:07,566   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:07,567   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:07,570   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:07,571   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:07,574   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:07,575   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:07,578   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:07,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:07,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:07,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:07,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:07,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:07,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:07,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:07,593   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:07,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:07,598   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:28:07,600   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:28:07,603   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:28:07,604   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:28:07,606   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:28:07,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:28:07,610   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:28:07,611   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:28:07,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:28:07,615   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:28:07,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:28:07,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:28:07,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:28:07,622   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:28:07,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:28:07,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:28:07,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:28:07,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:28:07,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:28:07,634   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:28:07,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:28:07,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:28:07,640   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:28:07,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:28:07,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:07,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:07,648   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:28:07,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:28:07,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:07,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:07,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:28:07,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:28:07,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:28:07,661   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:28:07,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:07,665   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:07,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:28:07,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:28:07,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:28:07,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:28:07,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:07,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:07,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:28:07,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:28:07,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:28:07,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:28:07,688   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:07,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:07,692   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:28:07,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:28:07,696   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:28:07,697   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:28:07,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:28:07,701   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:28:07,704   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:28:07,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:28:07,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:28:07,709   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:28:07,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:28:07,713   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:28:07,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:28:07,717   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:28:07,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:28:07,721   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:28:07,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:07,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:07,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:28:07,730   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:28:07,733   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:07,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:07,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:28:07,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:28:07,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:07,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:07,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:28:07,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:28:07,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:28:07,752   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:28:07,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:07,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:07,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:07,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:07,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:28:07,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:28:07,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:07,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:07,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:28:07,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:28:07,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:07,775   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:07,778   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:07,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:07,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:28:07,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:28:07,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:28:07,787   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:28:07,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:07,791   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:07,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:28:07,795   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:28:07,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:28:07,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:28:07,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:28:07,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:28:07,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:28:07,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:28:07,810   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:28:07,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:28:07,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:07,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:07,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:28:07,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:28:07,822   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:28:07,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:28:07,826   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:28:07,827   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:28:07,830   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:28:07,831   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:28:07,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:28:07,835   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:28:07,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:28:07,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:28:07,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:28:07,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:28:07,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:07,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:07,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:28:07,852   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:28:07,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:28:07,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:28:07,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:28:07,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:28:07,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:28:07,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:28:07,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:28:07,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:28:07,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:07,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:07,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:28:07,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:28:07,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:28:07,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:28:07,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:28:07,884   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:28:07,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:28:07,889   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:28:07,891   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:28:07,893   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:28:07,895   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:28:07,896   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:28:07,899   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:07,900   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:07,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:28:07,904   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:28:07,906   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:28:07,908   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:28:07,910   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:07,911   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:07,915   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:07,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:07,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:07,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:07,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:28:07,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:28:07,926   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:28:07,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:28:07,930   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:28:07,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:28:07,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:28:07,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:28:07,938   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:07,939   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:07,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:28:07,943   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:28:07,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:28:07,947   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:28:07,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:07,951   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:07,954   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:07,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:07,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:28:07,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:28:07,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:28:07,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:28:07,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:28:07,967   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:28:07,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:07,971   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:07,973   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:28:07,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:28:07,977   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:07,978   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:07,981   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:28:07,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:28:07,985   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:28:07,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:28:07,989   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:28:07,990   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:28:07,993   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:28:07,994   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:28:07,997   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:28:07,998   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:28:08,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:28:08,002   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:28:08,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:28:08,006   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:28:08,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:28:08,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:28:08,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:08,014   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:08,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:28:08,018   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:28:08,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:08,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:08,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:28:08,026   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:28:08,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:28:08,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:28:08,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:08,034   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:08,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:28:08,038   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:28:08,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:08,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:08,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:28:08,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:28:08,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:08,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:08,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:28:08,053   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:28:08,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:08,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:08,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:28:08,061   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:28:08,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:28:08,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:28:08,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:28:08,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:28:08,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:28:08,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:28:08,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:28:08,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:28:08,080   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:08,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:08,084   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:08,085   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:08,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:28:08,089   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:28:08,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:08,093   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:08,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:28:08,097   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:28:08,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:28:08,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:28:08,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:28:08,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:28:08,107   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:08,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:08,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:08,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:08,115   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:28:08,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:28:08,118   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:28:08,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:28:08,122   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:28:08,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:28:08,126   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:28:08,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:28:08,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:28:08,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:28:08,133   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:28:08,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:28:08,137   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:28:08,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:28:08,141   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:08,142   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:08,145   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:28:08,146   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:28:08,149   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:08,150   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:08,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:28:08,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:28:08,156   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:28:08,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:28:08,160   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:28:08,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:28:08,165   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:08,166   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:08,169   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:28:08,170   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:28:08,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:28:08,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:28:08,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:08,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:08,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:28:08,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:28:08,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:28:08,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:28:08,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:28:08,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:28:08,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:08,192   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:08,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:08,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:08,199   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:28:08,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:28:08,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:28:08,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:28:08,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:28:08,208   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:28:08,211   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:28:08,212   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:28:08,215   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:28:08,216   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:28:08,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:28:08,220   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:28:08,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:28:08,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:28:08,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:28:08,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:28:08,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:28:08,232   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:28:08,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:28:08,236   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:28:08,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:28:08,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:28:08,242   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:28:08,244   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:28:08,246   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:28:08,248   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:28:08,254   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:28:08,256   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:28:08,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:28:08,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:28:08,263   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:28:08,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:28:08,267   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:28:08,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:28:08,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:28:08,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:28:08,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:28:08,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:28:08,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:28:08,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:28:08,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:28:08,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:28:08,287   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:28:08,288   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:28:08,290   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:28:08,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:28:08,294   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:28:08,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:28:08,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:28:08,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:28:08,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:28:08,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:28:08,306   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:28:08,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:28:08,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:28:08,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:28:08,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:28:08,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:28:08,317   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:28:08,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:28:08,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:28:08,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:28:08,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:28:08,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:28:08,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:28:08,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:28:08,332   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:28:08,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:28:08,336   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:28:08,337   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:28:08,340   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:28:08,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:28:08,344   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:28:08,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:28:08,348   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:08,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:08,352   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:08,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:08,356   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:08,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:08,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:28:08,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:28:08,364   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:08,365   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:08,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:08,369   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:08,372   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:08,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:08,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:08,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:08,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:08,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:08,383   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:28:08,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:28:08,387   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:08,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:08,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:08,392   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:08,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:08,396   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:08,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:08,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:08,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:08,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:08,406   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:08,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:08,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:08,411   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:08,414   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:08,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:08,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:08,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:08,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:08,423   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:08,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:08,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:08,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:08,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:08,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:08,434   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:08,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:08,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:08,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:08,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:08,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:08,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:08,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:08,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:08,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:08,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:08,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:08,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:08,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:08,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:08,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:08,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:08,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:08,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:08,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:08,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:08,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:08,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:08,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:28:08,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:28:08,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:08,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:08,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:08,490   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:08,492   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:08,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:08,496   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:28:08,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:28:08,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:28:08,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:28:08,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:08,506   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:08,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:08,510   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:08,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:08,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:08,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:08,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:08,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:08,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:08,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:08,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:08,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:08,529   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:08,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:08,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:08,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:08,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:08,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:08,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:08,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:08,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:08,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:08,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:08,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:08,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:08,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:08,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:08,558   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:08,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:08,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:08,564   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:08,566   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:08,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:08,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:28:08,572   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:28:08,574   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:08,576   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:08,578   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:28:08,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:28:08,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:28:08,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:28:08,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:28:08,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:28:08,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:28:08,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:28:08,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:28:08,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:28:08,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:28:08,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:28:08,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:28:08,603   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:28:08,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:28:08,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:28:08,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:28:08,611   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:28:08,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:28:08,615   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:28:08,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:28:08,619   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:28:08,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:28:08,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:28:08,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:28:08,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:28:08,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:28:08,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:28:08,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:08,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:08,638   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:28:08,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:28:08,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:28:08,643   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:28:08,646   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:28:08,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:28:08,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:08,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:08,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:28:08,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:28:08,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:28:08,658   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:28:08,661   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:28:08,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:28:08,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:28:08,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:28:08,669   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:28:08,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:28:08,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:08,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:08,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:08,679   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:08,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:08,683   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:08,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:08,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:08,689   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:08,690   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:08,693   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:08,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:08,697   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:08,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:08,701   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:08,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:08,705   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:28:08,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:28:08,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:28:08,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:28:08,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:08,715   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:08,718   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:08,719   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:08,722   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:28:08,723   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:28:08,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:08,727   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:08,729   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:08,731   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:08,733   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:28:08,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:28:08,737   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:08,738   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:08,741   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:08,742   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:08,745   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:08,746   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:08,748   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:08,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:08,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:08,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:08,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:08,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:08,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:28:08,761   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:28:08,764   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:28:08,765   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:28:08,768   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:08,770   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:08,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:08,773   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:08,776   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:28:08,777   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:28:08,780   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:08,781   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:08,784   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:28:08,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:28:08,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:28:08,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:28:08,792   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:28:08,793   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:28:08,796   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:28:08,797   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:28:08,799   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:28:08,801   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:28:08,803   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:28:08,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:28:08,807   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:28:08,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:28:08,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:28:08,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:28:08,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:28:08,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:28:08,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:28:08,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:28:08,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:28:08,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:28:08,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:28:08,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:28:08,830   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:28:08,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:28:08,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:28:08,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:28:08,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:28:08,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:28:08,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:28:08,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:28:08,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:28:08,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:28:08,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:28:08,852   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:28:08,854   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:28:08,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:28:08,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:28:08,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:28:08,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:28:08,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:28:08,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:28:08,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:28:08,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:28:08,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:28:08,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:28:08,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:28:08,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:28:08,878   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:28:08,881   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:28:08,882   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:28:08,885   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:28:08,886   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:28:08,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:28:08,890   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:28:08,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:28:08,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:28:08,896   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:28:08,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:28:08,900   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:28:08,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:28:08,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:28:08,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:28:08,908   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:28:08,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:28:08,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:28:08,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:28:08,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:28:08,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:28:08,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:28:08,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:28:08,926   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:28:08,927   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:28:08,930   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:28:08,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:28:08,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:28:08,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:28:08,937   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:28:08,939   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:28:08,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:28:08,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:28:08,945   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:28:08,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:28:08,949   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:28:08,950   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:28:08,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:08,954   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:08,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:08,958   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:08,961   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:08,962   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:08,965   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:08,966   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:08,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:08,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:08,974   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:08,976   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:08,978   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:08,980   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:08,982   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:08,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:08,986   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:08,988   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:08,991   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:08,992   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:08,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:08,997   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:08,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:09,001   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:09,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:09,005   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:09,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:09,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:09,011   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:09,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:09,015   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:09,016   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:09,019   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:09,020   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:09,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:09,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:09,026   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:09,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:09,030   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:09,031   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:09,034   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:09,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:09,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:09,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:09,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:09,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:09,047   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:09,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:09,051   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:09,052   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:09,055   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:09,056   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:09,059   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:09,060   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:09,063   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:28:09,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:28:09,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:28:09,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:28:09,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:28:09,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:28:09,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:28:09,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:28:09,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:28:09,083   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:28:09,086   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:28:09,087   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:28:09,090   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:28:09,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:28:09,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:28:09,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:28:09,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:28:09,099   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:28:09,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:28:09,103   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:28:09,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:28:09,107   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:28:09,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:28:09,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:28:09,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:28:09,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:28:09,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:28:09,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:28:09,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:28:09,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:28:09,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:28:09,126   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:28:09,129   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:28:09,130   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:28:09,133   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:28:09,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:28:09,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:28:09,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:28:09,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:28:09,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:28:09,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:28:09,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:28:09,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:28:09,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:28:09,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:28:09,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:28:09,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:28:09,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:28:09,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:28:09,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:28:09,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:28:09,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:28:09,170   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:28:09,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:28:09,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:28:09,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:28:09,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:28:09,180   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:28:09,183   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:28:09,184   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:28:09,187   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:28:09,188   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:28:09,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:28:09,192   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:28:09,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:28:09,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:28:09,199   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:28:09,200   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:28:09,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:28:09,204   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:28:09,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:28:09,208   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:28:09,211   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:28:09,212   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:28:09,215   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:28:09,216   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:28:09,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:28:09,220   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:28:09,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:28:09,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:28:09,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:28:09,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:28:09,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:09,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:09,236   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:09,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:09,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:09,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:09,243   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:09,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:09,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:09,248   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:09,251   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:09,252   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:09,255   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:09,256   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:09,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:09,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:09,263   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:28:09,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:28:09,267   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:09,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:09,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:09,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:09,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:09,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:09,280   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:09,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:09,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:09,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:09,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:09,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:09,292   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:09,293   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:09,296   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:09,297   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:09,300   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:09,301   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:09,304   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:09,305   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:09,308   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:09,309   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:09,312   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:09,313   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:09,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:09,318   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:09,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:09,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:09,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:28:09,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:28:09,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:09,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:09,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:09,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:09,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:09,338   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:09,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:09,342   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:09,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:09,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:09,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:09,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:09,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:09,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:09,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:09,360   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:09,362   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:09,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:09,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:09,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:09,371   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:09,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:09,375   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:09,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:09,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:09,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:09,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:09,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:09,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:09,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:09,389   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:09,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:09,393   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:09,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:09,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:09,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:09,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:09,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:09,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:09,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:09,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:09,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:09,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:09,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:09,418   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:09,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:09,422   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:09,423   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:09,426   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:09,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:09,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:09,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:09,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:28:09,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:28:09,438   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:28:09,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:28:09,442   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:28:09,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:28:09,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:28:09,448   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:28:09,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:28:09,452   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:28:09,455   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:28:09,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:28:09,459   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:28:09,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:28:09,463   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:28:09,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:28:09,467   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:28:09,469   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:28:09,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:28:09,473   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:28:09,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:28:09,477   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:28:09,479   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:28:09,481   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:28:09,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:28:09,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:28:09,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:28:09,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:28:09,492   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:28:09,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:28:09,496   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:28:09,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:28:09,501   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:28:09,503   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:28:09,506   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:28:09,507   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:28:09,510   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:28:09,511   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:28:09,514   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:28:09,515   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:28:09,518   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:28:09,519   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:28:09,522   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:28:09,523   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:28:09,526   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:28:09,527   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:28:09,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:28:09,531   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:28:09,534   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:28:09,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:28:09,538   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:28:09,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:28:09,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:28:09,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:28:09,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:28:09,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:28:09,551   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:28:09,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:28:09,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:28:09,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:28:09,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:28:09,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:28:09,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:28:09,565   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:28:09,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:28:09,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:28:09,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:28:09,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:28:09,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:28:09,576   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:28:09,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:28:09,580   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:28:09,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:28:09,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:28:09,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:28:09,588   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:28:09,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:09,592   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:09,595   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:09,596   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:09,599   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:28:09,600   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:28:09,602   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:28:09,604   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:28:09,606   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:09,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:09,610   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:09,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:09,614   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:09,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:09,618   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:09,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:09,622   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:09,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:09,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:28:09,628   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:28:09,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:09,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:09,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:09,636   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:09,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:09,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:09,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:09,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:09,646   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:28:09,648   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:28:09,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:09,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:09,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:09,656   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:09,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:09,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:09,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:09,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:09,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:09,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:09,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:28:09,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:28:09,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:09,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:09,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:09,679   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:09,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:09,683   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:09,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:09,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:09,689   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:09,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:09,693   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:09,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:09,697   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:09,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:09,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:28:09,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:28:09,705   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:09,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:09,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:09,710   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:09,713   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:28:09,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:28:09,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:09,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:09,721   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:09,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:09,725   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:09,726   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:09,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:28:09,730   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:28:09,732   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:28:09,734   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:28:09,736   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:09,738   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:09,740   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:09,742   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:09,744   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:09,746   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:09,748   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:28:09,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:28:09,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:28:09,753   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:28:09,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:09,758   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:09,760   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:09,762   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:09,764   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:28:09,766   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:28:09,768   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:09,769   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:09,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:09,773   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:09,776   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:09,777   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:09,780   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:28:09,782   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:28:09,785   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:28:09,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:28:09,789   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:28:09,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:28:09,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:28:09,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:28:09,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:28:09,800   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:28:09,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:28:09,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:28:09,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:28:09,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:28:09,810   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:28:09,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:28:09,814   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:28:09,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:28:09,828   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:28:09,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:28:09,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:28:09,833   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:28:09,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:28:09,837   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:28:09,840   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:28:09,842   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:28:09,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:28:09,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:28:09,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:28:09,851   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:28:09,854   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:28:09,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:28:09,858   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:28:09,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:28:09,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:28:09,863   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:28:09,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:28:09,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:28:09,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:28:09,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:28:09,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:28:09,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:28:09,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:28:09,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:28:09,881   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:28:09,882   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:28:09,885   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:28:09,886   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:28:09,889   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:28:09,890   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:28:09,893   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:28:09,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:28:09,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:28:09,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:28:09,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:28:09,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:28:09,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:28:09,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:28:09,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:28:09,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:28:09,913   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:28:09,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:28:09,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:28:09,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:28:09,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:28:09,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:28:09,925   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:28:09,926   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:28:09,928   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:28:09,930   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:28:09,932   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:28:09,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:28:09,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:28:09,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:28:09,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:28:09,941   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:28:09,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:28:09,945   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:28:09,948   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:28:09,949   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:28:09,951   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:28:09,953   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:28:09,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:28:09,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:28:09,959   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:28:09,960   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:28:09,963   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:28:09,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:28:09,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:28:09,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:28:09,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:28:09,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:28:09,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:28:09,976   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:28:09,979   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:28:09,980   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:28:09,983   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:28:09,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:28:09,987   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:28:09,988   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:28:09,991   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:28:09,992   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:28:09,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:28:09,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:28:09,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:28:10,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:28:10,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:28:10,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:28:10,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:28:10,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:28:10,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:28:10,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:28:10,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:28:10,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:28:10,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:28:10,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:28:10,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:28:10,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:28:10,026   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:28:10,028   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:28:10,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:28:10,032   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:28:10,034   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:28:10,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:28:10,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:28:10,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:28:10,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:28:10,045   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:28:10,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:28:10,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:28:10,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:28:10,054   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:28:10,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:28:10,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:28:10,061   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:28:10,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:28:10,065   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:28:10,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:28:10,069   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:28:10,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:28:10,073   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:28:10,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:28:10,078   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:28:10,079   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:28:10,082   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:28:10,083   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:28:10,086   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:28:10,087   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:28:10,090   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:28:10,091   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:28:10,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:28:10,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:28:10,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:28:10,099   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:28:10,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:28:10,103   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:28:10,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:28:10,107   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:28:10,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:28:10,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:28:10,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:28:10,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:28:10,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:28:10,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:28:10,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:28:10,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:28:10,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:28:10,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:28:10,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:28:10,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:28:10,134   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:28:10,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:28:10,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:28:10,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:28:10,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:28:10,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:28:10,145   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:28:10,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:28:10,149   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:28:10,151   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:28:10,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:28:10,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:28:10,157   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:28:10,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:28:10,161   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:28:10,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:28:10,165   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:28:10,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:28:10,169   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:28:10,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:28:10,173   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:28:10,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:28:10,177   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:28:10,178   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:28:10,181   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:28:10,182   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:28:10,185   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:28:10,187   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:28:10,189   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:28:10,190   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:28:10,193   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:28:10,195   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:28:10,197   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:28:10,199   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:28:10,202   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:28:10,204   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:28:10,206   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:28:10,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:28:10,210   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:28:10,211   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:28:10,214   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:28:10,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:28:10,218   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:28:10,219   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:28:10,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:28:10,223   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:28:10,225   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:28:10,227   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:28:10,229   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:28:10,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:28:10,233   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:28:10,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:28:10,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:28:10,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:28:10,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:28:10,243   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:28:10,246   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:28:10,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:28:10,250   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:28:10,251   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:28:10,254   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:28:10,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:28:10,258   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:28:10,259   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:28:10,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:28:10,263   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:28:10,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:28:10,267   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:28:10,270   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:28:10,271   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:28:10,273   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:28:10,275   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:28:10,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:28:10,279   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:28:10,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:28:10,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:28:10,287   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:28:10,288   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:28:10,291   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:28:10,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:28:10,294   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:28:10,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:28:10,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:28:10,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:28:10,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:28:10,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:28:10,306   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:28:10,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:28:10,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:28:10,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:28:10,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:28:10,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:28:10,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:28:10,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:28:10,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:28:10,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:28:10,326   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:28:10,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:28:10,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:28:10,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:28:10,334   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:28:10,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:28:10,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:28:10,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:28:10,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:28:10,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:28:10,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:28:10,348   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:28:10,350   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:28:10,351   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:28:10,354   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:28:10,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:28:10,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:28:10,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:28:10,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:28:10,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:28:10,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:28:10,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:28:10,369   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:28:10,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:28:10,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:28:10,374   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:28:10,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:28:10,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:28:10,381   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:28:10,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:28:10,385   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:28:10,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:28:10,389   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:28:10,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:28:10,393   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:10,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:10,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:28:10,398   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:28:10,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:28:10,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:28:10,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:28:10,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:28:10,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:28:10,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:28:10,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:28:10,414   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:28:10,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:10,418   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:10,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:28:10,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:28:10,424   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:28:10,426   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:28:10,428   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:28:10,429   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:28:10,432   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:28:10,433   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:28:10,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:28:10,437   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:28:10,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:28:10,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:28:10,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:28:10,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:28:10,447   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:28:10,448   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:28:10,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:10,452   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:10,454   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:28:10,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:28:10,458   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:28:10,459   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:28:10,462   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:10,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:10,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:28:10,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:28:10,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:28:10,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:28:10,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:28:10,476   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:28:10,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:28:10,480   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:28:10,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:28:10,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:28:10,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:28:10,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:28:10,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:28:10,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:28:10,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:28:10,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:28:10,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:28:10,499   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:28:10,502   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:28:10,503   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:28:10,505   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:28:10,507   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:28:10,509   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:28:10,511   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:28:10,513   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:28:10,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:28:10,517   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:28:10,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:28:10,521   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:28:10,522   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:28:10,525   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:28:10,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:28:10,528   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:28:10,530   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:28:10,532   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:28:10,534   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:28:10,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:28:10,538   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:28:10,540   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:28:10,543   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:28:10,545   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:28:10,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:28:10,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:28:10,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:28:10,554   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:28:10,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:28:10,558   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:28:10,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:28:10,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:28:10,563   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:28:10,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:28:10,567   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:28:10,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:28:10,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:28:10,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:28:10,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:28:10,577   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:28:10,578   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:28:10,581   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:28:10,582   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:28:10,584   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:28:10,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:28:10,588   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:28:10,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:28:10,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:28:10,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:28:10,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:28:10,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:28:10,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:28:10,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:28:10,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:28:10,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:28:10,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:28:10,610   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:28:10,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:28:10,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:28:10,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:28:10,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:28:10,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:28:10,622   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:28:10,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:28:10,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:28:10,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:28:10,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:28:10,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:28:10,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:28:10,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:28:10,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:28:10,641   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:28:10,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:28:10,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:28:10,646   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:28:10,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:28:10,650   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:28:10,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:28:10,654   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:28:10,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:28:10,658   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:28:10,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:28:10,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:28:10,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:28:10,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:28:10,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:28:10,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:28:10,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:28:10,673   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:28:10,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:28:10,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:28:10,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:28:10,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:28:10,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:28:10,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:28:10,688   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:28:10,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:28:10,692   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:28:10,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:28:10,696   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:28:10,697   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:28:10,700   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:28:10,701   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:28:10,704   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:28:10,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:28:10,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:28:10,709   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:28:10,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:28:10,713   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:28:10,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:28:10,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:28:10,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:28:10,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:28:10,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:28:10,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:28:10,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:28:10,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:28:10,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:28:10,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:28:10,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:28:10,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:28:10,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:28:10,739   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:28:10,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:28:10,743   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:28:10,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:28:10,747   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:28:10,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:28:10,751   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:28:10,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:28:10,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:28:10,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:28:10,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:28:10,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:28:10,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:28:10,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:28:10,768   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:28:10,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:28:10,772   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:28:10,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:28:10,775   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:28:10,778   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:28:10,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:28:10,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:28:10,783   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:28:10,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:28:10,787   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:28:10,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:28:10,791   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:28:10,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:28:10,795   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:28:10,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:28:10,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:28:10,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:28:10,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:28:10,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:28:10,809   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:28:10,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:28:10,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:28:10,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:28:10,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:28:10,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:28:10,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:28:10,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:28:10,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:28:10,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:28:10,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:28:10,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:28:10,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:28:10,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:28:10,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:28:10,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:28:10,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:28:10,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:28:10,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:28:10,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:28:10,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:28:10,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:28:10,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:28:10,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:28:10,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:28:10,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:28:10,861   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:28:10,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:28:10,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:28:10,867   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:28:10,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:28:10,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:28:10,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:28:10,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:28:10,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:28:10,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:28:10,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:28:10,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:28:10,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:28:10,886   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:28:10,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:28:10,889   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:28:10,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:28:10,893   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:28:10,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:28:10,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:28:10,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:28:10,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:28:10,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:28:10,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:28:10,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:28:10,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:28:10,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:28:10,913   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:28:10,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:28:10,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:28:10,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:28:10,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:28:10,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:28:10,924   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:28:10,925   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:28:10,928   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:28:10,929   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:28:10,932   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:28:10,933   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:28:10,935   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:28:10,937   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:28:10,939   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:28:10,940   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:28:10,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:28:10,945   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:28:10,948   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:28:10,949   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:28:10,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:28:10,953   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:28:10,956   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:28:10,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:28:10,960   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:28:10,961   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:28:10,964   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:28:10,965   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:28:10,968   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:28:10,969   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:28:10,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:28:10,973   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:28:10,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:28:10,978   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:28:10,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:28:10,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:28:10,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:28:10,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:28:10,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:28:10,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:28:10,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:28:10,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:28:10,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:28:10,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:28:10,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:28:11,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:28:11,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:28:11,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:28:11,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:28:11,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:28:11,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:28:11,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:28:11,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:28:11,014   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:28:11,016   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:28:11,018   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:28:11,020   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:28:11,021   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:28:11,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:28:11,025   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:28:11,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:28:11,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:28:11,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:28:11,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:28:11,035   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:28:11,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:28:11,039   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:28:11,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:28:11,043   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:28:11,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:28:11,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:28:11,048   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:28:11,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:11,052   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:11,055   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:11,056   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:11,059   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:11,060   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:11,062   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:11,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:11,066   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:11,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:11,069   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:11,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:11,073   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:11,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:11,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:11,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:11,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:11,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:11,085   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:11,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:11,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:11,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:11,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:11,094   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:11,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:11,098   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:11,100   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:11,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:11,104   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:11,105   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:11,108   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:11,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:11,112   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:11,114   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:11,116   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:11,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:11,120   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:11,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:11,124   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:11,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:11,128   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:11,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:11,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:11,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:11,136   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:11,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:11,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:11,140   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:11,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:11,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:11,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:11,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:11,151   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:11,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:11,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:11,156   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:11,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:11,160   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:11,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:11,164   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:11,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:11,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:11,170   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:11,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:11,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:11,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:11,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:11,179   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:11,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:11,183   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:11,186   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:11,187   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:11,190   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:11,192   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:11,194   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:11,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:11,198   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:11,200   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:11,202   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:11,203   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:11,206   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:11,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:11,210   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:11,211   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:11,214   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:11,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:11,218   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:11,219   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:11,222   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:11,223   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:11,226   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:11,227   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:11,229   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:11,231   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:11,233   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:11,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:11,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:11,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:11,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:11,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:11,245   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:11,246   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:11,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:11,250   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:11,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:11,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:11,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:11,258   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:11,260   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:11,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:11,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:11,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:11,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:11,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:11,272   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:11,273   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:11,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:28:11,279   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:28:11,281   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:28:11,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:28:11,285   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:28:11,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:28:11,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:28:11,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:28:11,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:28:11,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:28:11,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:28:11,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:28:11,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:28:11,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:28:11,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:28:11,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:28:11,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:28:11,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:28:11,313   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:28:11,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:28:11,317   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:28:11,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:28:11,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:28:11,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:28:11,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:28:11,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:28:11,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:28:11,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:28:11,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:28:11,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:28:11,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:28:11,338   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:28:11,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:28:11,342   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:28:11,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:28:11,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:28:11,348   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:28:11,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:28:11,352   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:28:11,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:28:11,356   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:28:11,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:28:11,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:28:11,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:28:11,364   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:28:11,365   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:28:11,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:28:11,369   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:28:11,372   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:28:11,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:28:11,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:28:11,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:28:11,379   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:28:11,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:28:11,384   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:28:11,385   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:28:11,387   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:28:11,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:28:11,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:28:11,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:28:11,396   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:28:11,397   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:28:11,400   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:28:11,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:28:11,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:28:11,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:28:11,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:28:11,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:28:11,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:28:11,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:28:11,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:28:11,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:28:11,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:28:11,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:28:11,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:28:11,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:28:11,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:28:11,429   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:28:11,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:28:11,432   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:28:11,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:28:11,437   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:28:11,440   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:28:11,441   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:28:11,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:28:11,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:28:11,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:28:11,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:28:11,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:28:11,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:28:11,456   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:28:11,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:28:11,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:28:11,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:28:11,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:28:11,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:28:11,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:28:11,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:28:11,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:28:11,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:28:11,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:28:11,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:28:11,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:28:11,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:28:11,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:28:11,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:28:11,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:28:11,490   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:28:11,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:28:11,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:28:11,497   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:28:11,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:28:11,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:28:11,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:28:11,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:28:11,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:28:11,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:28:11,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:28:11,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:28:11,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:28:11,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:28:11,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:28:11,521   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:28:11,523   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:28:11,525   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:28:11,527   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:28:11,529   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:28:11,531   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:28:11,533   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:28:11,535   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:28:11,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:28:11,539   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:28:11,541   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:28:11,543   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:28:11,545   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:28:11,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:28:11,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:28:11,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:28:11,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:28:11,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:28:11,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:28:11,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:28:11,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:28:11,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:28:11,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:28:11,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:28:11,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:28:11,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:28:11,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:28:11,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:28:11,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:28:11,578   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:28:11,580   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:28:11,582   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:28:11,584   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:28:11,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:28:11,588   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:28:11,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:28:11,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:28:11,594   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:28:11,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:28:11,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:28:11,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:28:11,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:28:11,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:28:11,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:28:11,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:28:11,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:28:11,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:28:11,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:28:11,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:28:11,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:28:11,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:28:11,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:28:11,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:28:11,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:28:11,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:28:11,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:28:11,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:28:11,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:28:11,636   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:28:11,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:28:11,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:28:11,641   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:28:11,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:28:11,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:28:11,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:28:11,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:28:11,651   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:28:11,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:28:11,655   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:28:11,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:28:11,659   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:28:11,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:28:11,663   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:28:11,664   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:28:11,667   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:28:11,669   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:28:11,671   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:28:11,672   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:28:11,675   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:28:11,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:28:11,679   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:28:11,680   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:28:11,683   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:28:11,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:28:11,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:28:11,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:28:11,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:28:11,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:28:11,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:28:11,697   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:28:11,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:28:11,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:28:11,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:28:11,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:28:11,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:28:11,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:28:11,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:28:11,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:28:11,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:28:11,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:28:11,718   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:28:11,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:28:11,722   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:28:11,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:28:11,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:28:11,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:28:11,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:28:11,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:28:11,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:28:11,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:28:11,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:28:11,739   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:28:11,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:28:11,743   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:28:11,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:28:11,747   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:28:11,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:28:11,751   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:28:11,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:28:11,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:28:11,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:28:11,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:28:11,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:28:11,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:28:11,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:28:11,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:28:11,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:28:11,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:28:11,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:28:11,775   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:28:11,777   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:28:11,779   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:28:11,781   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:28:11,783   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:28:11,785   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:28:11,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:28:11,789   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:28:11,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:28:11,793   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:28:11,794   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:28:11,796   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:28:11,798   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:28:11,800   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:28:11,802   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:28:11,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:28:11,805   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:28:11,808   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:28:11,809   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:28:11,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:28:11,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:28:11,816   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:28:11,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:28:11,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:28:11,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:28:11,824   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:28:11,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:28:11,828   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:28:11,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:28:11,832   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:28:11,833   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:28:11,836   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:28:11,837   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:28:11,840   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:28:11,841   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:28:11,844   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:28:11,845   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:28:11,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:28:11,849   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:28:11,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:28:11,852   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:28:11,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:28:11,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:28:11,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:28:11,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:28:11,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:28:11,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:28:11,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:28:11,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:28:11,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:28:11,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:28:11,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:28:11,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:28:11,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:28:11,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:28:11,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:28:11,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:28:11,886   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:28:11,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:28:11,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:28:11,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:28:11,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:28:11,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:28:11,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:28:11,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:28:11,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:28:11,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:28:11,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:28:11,907   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:28:11,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:28:11,911   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:28:11,913   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:28:11,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:28:11,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:28:11,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:28:11,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:28:11,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:28:11,924   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:28:11,926   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:28:11,928   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:28:11,929   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:28:11,932   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:28:11,933   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:28:11,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:28:11,937   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:28:11,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:28:11,941   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:28:11,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:28:11,945   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:28:11,947   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:28:11,949   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:28:11,951   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:28:11,953   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:28:11,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:28:11,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:28:11,959   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:28:11,960   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:28:11,963   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:28:11,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:28:11,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:28:11,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:28:11,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:28:11,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:28:11,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:28:11,976   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:28:11,979   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:28:11,980   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:28:11,983   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:28:11,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:28:11,987   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:28:11,988   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:28:11,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:28:11,992   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:28:11,994   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:28:11,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:28:11,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:28:11,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:28:12,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:28:12,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:28:12,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:28:12,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:28:12,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:28:12,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:28:12,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:28:12,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:28:12,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:28:12,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:28:12,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:28:12,023   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:28:12,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:28:12,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:28:12,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:28:12,031   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:28:12,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:28:12,035   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:28:12,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:28:12,039   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:28:12,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:28:12,043   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:28:12,045   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:28:12,047   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:28:12,049   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:28:12,051   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:28:12,054   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:28:12,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:28:12,058   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:12,060   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:12,062   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:28:12,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:28:12,066   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:28:12,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:28:12,070   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:28:12,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:28:12,073   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:28:12,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:28:12,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:28:12,079   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:28:12,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:28:12,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:28:12,085   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:28:12,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:28:12,089   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:28:12,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:28:12,093   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:28:12,094   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:28:12,097   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:12,098   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:12,101   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:28:12,102   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:28:12,105   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:28:12,106   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:28:12,108   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:28:12,110   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:28:12,112   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:28:12,114   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:28:12,116   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:28:12,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:28:12,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:28:12,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:28:12,126   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:12,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:12,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:12,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:12,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:12,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:12,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:28:12,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:28:12,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:12,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:12,148   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:12,149   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:12,152   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:28:12,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:28:12,157   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:12,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:12,161   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:28:12,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:28:12,165   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:28:12,166   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:28:12,169   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:28:12,170   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:28:12,173   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:28:12,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:28:12,177   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:12,178   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:12,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:28:12,182   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:28:12,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:28:12,186   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:28:12,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:12,190   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:12,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:28:12,194   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:28:12,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:28:12,198   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:28:12,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:28:12,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:28:12,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:28:12,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:28:12,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:12,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:12,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:28:12,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:28:12,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:28:12,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:28:12,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:28:12,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:28:12,224   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:28:12,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:28:12,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:28:12,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:28:12,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:28:12,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:28:12,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:12,236   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:12,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:28:12,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:28:12,243   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:28:12,244   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:28:12,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:28:12,248   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:28:12,250   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:28:12,252   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:28:12,254   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:28:12,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:28:12,258   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:28:12,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:28:12,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:28:12,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:28:12,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:28:12,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:28:12,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:28:12,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:28:12,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:28:12,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:28:12,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:12,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:12,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:28:12,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:28:12,286   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:28:12,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:28:12,290   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:12,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:12,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:28:12,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:28:12,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:28:12,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:28:12,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:12,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:12,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:28:12,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:28:12,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:28:12,310   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:28:12,313   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:28:12,314   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:28:12,317   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:28:12,318   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:28:12,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:28:12,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:28:12,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:28:12,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:28:12,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:12,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:12,332   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:28:12,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:28:12,336   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:28:12,338   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:28:12,340   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:28:12,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:28:12,344   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:28:12,345   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:28:12,348   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:28:12,349   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:28:12,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:12,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:12,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:28:12,356   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:28:12,359   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:12,360   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:12,363   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:12,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:12,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:28:12,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:28:12,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:12,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:12,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:28:12,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:28:12,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:12,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:12,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:28:12,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:28:12,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:28:12,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:28:12,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:28:12,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:28:12,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:28:12,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:28:12,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:12,400   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:12,403   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:28:12,404   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:28:12,407   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:12,408   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:12,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:28:12,412   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:28:12,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:28:12,416   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:28:12,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:28:12,420   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:28:12,422   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:12,424   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:12,426   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:12,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:12,430   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:28:12,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:28:12,434   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:28:12,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:28:12,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:12,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:12,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:28:12,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:28:12,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:28:12,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:28:12,448   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:12,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:12,452   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:12,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:12,456   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:28:12,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:28:12,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:28:12,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:28:12,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:28:12,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:28:12,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:12,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:12,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:12,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:12,477   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:28:12,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:28:12,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:12,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:12,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:28:12,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:28:12,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:12,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:12,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:12,493   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:12,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:28:12,496   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:28:12,499   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:28:12,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:28:12,502   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:28:12,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:28:12,506   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:28:12,508   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:28:12,511   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:28:12,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:28:12,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:28:12,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:28:12,518   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:28:12,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:28:12,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:12,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:12,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:12,529   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:12,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:12,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:12,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:12,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:12,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:12,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:12,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:12,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:12,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:12,549   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:12,551   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:12,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:12,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:12,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:12,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:12,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:12,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:12,564   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:12,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:12,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:12,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:12,572   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:12,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:12,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:12,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:12,581   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:12,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:12,585   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:12,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:12,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:12,591   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:12,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:12,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:12,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:12,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:12,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:12,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:12,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:12,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:28:12,611   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:28:12,614   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:28:12,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:28:12,618   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:28:12,619   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:28:12,622   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:28:12,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:28:12,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:28:12,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:28:12,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:28:12,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:28:12,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:28:12,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:28:12,638   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:28:12,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:28:12,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:28:12,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:28:12,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:28:12,648   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:28:12,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:28:12,652   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:28:12,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:28:12,656   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:28:12,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:28:12,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:28:12,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:28:12,664   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:28:12,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:28:12,668   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:28:12,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:28:12,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:28:12,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:28:12,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:28:12,678   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:28:12,680   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:28:12,683   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:28:12,684   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:28:12,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:28:12,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:28:12,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:28:12,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:28:12,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:28:12,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:28:12,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:28:12,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:28:12,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:28:12,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:28:12,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:28:12,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:28:12,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:28:12,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:28:12,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:28:12,715   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:28:12,718   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:28:12,719   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:28:12,722   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:28:12,723   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:28:12,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:28:12,727   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:28:12,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:28:12,731   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:28:12,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:28:12,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:28:12,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:28:12,739   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:28:12,741   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:28:12,743   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:28:12,745   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:28:12,747   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:28:12,749   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:28:12,751   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:28:12,753   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:28:12,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:28:12,757   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:28:12,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:28:12,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:28:12,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:28:12,765   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:28:12,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:28:12,769   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:28:12,770   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:28:12,773   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:28:12,774   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:28:12,777   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:28:12,778   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:28:12,781   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:28:12,782   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:28:12,785   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:28:12,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:28:12,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:28:12,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:28:12,792   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:28:12,794   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:28:12,796   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:28:12,797   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:28:12,800   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:28:12,801   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:28:12,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:28:12,805   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:28:12,808   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:28:12,809   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:28:12,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:28:12,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:28:12,816   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:28:12,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:28:12,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:28:12,822   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:28:12,825   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:28:12,826   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:28:12,829   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:28:12,830   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:28:12,833   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:28:12,834   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:28:12,837   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:28:12,838   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:28:12,841   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:12,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:12,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:12,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:12,849   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:12,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:12,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:12,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:12,857   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:12,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:12,861   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:12,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:12,865   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:12,866   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:12,868   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:12,870   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:12,872   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:12,874   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:12,876   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:12,877   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:12,880   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:12,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:12,884   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:12,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:12,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:12,889   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:12,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:12,893   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:12,896   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:12,897   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:12,900   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:12,901   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:12,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:12,905   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:12,908   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:12,909   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:12,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:12,913   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:12,916   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:12,917   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:12,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:12,921   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:12,923   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:12,925   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:12,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:12,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:12,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:12,932   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:12,935   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:12,936   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:12,939   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:12,940   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:12,942   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:12,944   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:12,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:12,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:12,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:28:12,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:28:12,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:28:12,956   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:28:12,959   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:28:12,960   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:28:12,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:28:12,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:28:12,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:28:12,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:28:12,970   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:28:12,971   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:28:12,974   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:28:12,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:28:12,978   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:28:12,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:28:12,981   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:28:12,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:28:12,985   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:28:12,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:28:12,989   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:28:12,990   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:28:12,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:28:12,994   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:28:12,996   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:28:12,997   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:28:13,000   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:28:13,001   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:28:13,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:28:13,005   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:28:13,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:28:13,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:28:13,011   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:28:13,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:28:13,015   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:28:13,016   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:28:13,019   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:28:13,020   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:28:13,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:28:13,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:28:13,026   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:28:13,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:28:13,030   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:28:13,031   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:28:13,034   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:28:13,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:28:13,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:28:13,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:28:13,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:28:13,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:28:13,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:28:13,047   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:28:13,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:28:13,051   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:28:13,054   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:28:13,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:28:13,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:28:13,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:28:13,061   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:28:13,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:28:13,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:28:13,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:28:13,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:28:13,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:28:13,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:28:13,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:28:13,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:28:13,079   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:28:13,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:28:13,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:28:13,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:28:13,088   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:28:13,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:28:13,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:28:13,095   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:28:13,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:28:13,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:28:13,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:28:13,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:28:13,105   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:28:13,107   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:28:13,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:28:13,112   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:28:13,113   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:28:13,116   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:28:13,117   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:28:13,120   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:28:13,121   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:28:13,124   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:28:13,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:28:13,127   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:28:13,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:28:13,131   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:28:13,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:28:13,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:28:13,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:28:13,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:13,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:13,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:28:13,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:28:13,148   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:28:13,149   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:28:13,152   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:28:13,153   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:28:13,156   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:28:13,157   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:28:13,159   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:28:13,161   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:28:13,163   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:28:13,165   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:28:13,167   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:28:13,169   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:28:13,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:13,173   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:13,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:28:13,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:28:13,179   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:13,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:13,183   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:28:13,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:28:13,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:13,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:13,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:28:13,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:28:13,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:28:13,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:28:13,199   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:13,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:13,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:28:13,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:28:13,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:28:13,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:28:13,211   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:28:13,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:28:13,215   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:28:13,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:28:13,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:28:13,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:28:13,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:13,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:13,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:28:13,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:28:13,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:28:13,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:28:13,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:28:13,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:28:13,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:28:13,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:28:13,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:28:13,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:28:13,248   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:28:13,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:28:13,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:13,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:13,256   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:28:13,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:28:13,260   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:28:13,261   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:28:13,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:28:13,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:28:13,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:28:13,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:28:13,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:28:13,273   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:28:13,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:13,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:13,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:28:13,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:28:13,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:28:13,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:28:13,287   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:28:13,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:28:13,291   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:28:13,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:28:13,295   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:28:13,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:28:13,299   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:28:13,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:28:13,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:28:13,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:28:13,306   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:28:13,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:28:13,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:28:13,312   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:28:13,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:28:13,316   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:28:13,319   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:28:13,320   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:28:13,323   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:28:13,324   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:28:13,327   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:28:13,328   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:28:13,331   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:28:13,332   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:28:13,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:28:13,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:28:13,339   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:13,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:13,343   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:13,345   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:13,347   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:13,349   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:13,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:13,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:13,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:13,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:13,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:28:13,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:28:13,364   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:13,365   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:13,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:13,369   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:13,372   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:13,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:13,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:13,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:13,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:28:13,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:28:13,384   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:28:13,386   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:28:13,388   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:13,390   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:13,392   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:13,394   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:13,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:28:13,398   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:28:13,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:13,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:13,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:13,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:13,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:13,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:13,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:13,414   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:13,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:13,418   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:13,420   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:13,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:13,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:13,426   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:13,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:13,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:13,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:13,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:13,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:28:13,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:28:13,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:13,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:13,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:13,447   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:13,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:28:13,451   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:28:13,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:13,455   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:13,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:28:13,459   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:28:13,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:28:13,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:28:13,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:13,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:13,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:13,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:13,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:28:13,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:28:13,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:13,479   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:13,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:13,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:13,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:13,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:13,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:13,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:13,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:13,496   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:13,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:13,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:13,510   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:13,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:13,517   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:28:13,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:28:13,524   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:28:13,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:28:13,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:28:13,534   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:28:13,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:13,539   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:13,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:13,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:13,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:13,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:13,556   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:13,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:13,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:13,564   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:13,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:13,569   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:13,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:13,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:13,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:28:13,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:28:13,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:13,581   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:13,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:13,585   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:13,588   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:13,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:13,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:13,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:13,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:13,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:13,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:13,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:13,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:13,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:13,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:13,610   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:13,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:13,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:13,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:28:13,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:28:13,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:13,622   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:13,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:13,626   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:13,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:13,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:13,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:13,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:13,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:13,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:13,641   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:13,643   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:13,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:13,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:13,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:13,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:13,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:13,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:13,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:13,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:13,661   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:13,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:13,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:28:13,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:28:13,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:13,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:13,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:28:13,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:28:13,678   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:13,680   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:13,682   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:13,684   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:13,686   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:13,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:13,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:28:13,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:28:13,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:13,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:13,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:28:13,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:28:13,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:13,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:13,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:13,709   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:13,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:28:13,713   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:28:13,716   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:13,717   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:13,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:28:13,721   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:28:13,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:13,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:13,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:13,730   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:13,733   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:13,734   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:13,736   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:13,738   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:13,740   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:13,742   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:13,744   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:13,746   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:13,748   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:13,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:13,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:13,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:13,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:13,758   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:13,760   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:13,762   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:13,765   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:13,766   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:13,769   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:13,770   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:13,773   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:13,774   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:13,777   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:13,778   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:13,781   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:13,782   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:13,785   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:13,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:13,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:13,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:13,792   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:13,794   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:13,797   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:13,798   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:13,801   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:13,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:13,805   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:13,807   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:13,809   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:13,811   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:13,813   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:13,815   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:13,817   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:13,819   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:13,821   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:13,823   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:13,825   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:13,827   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:13,829   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:13,831   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:13,833   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:13,835   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:13,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:13,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:13,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:13,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:13,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:13,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:13,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:13,852   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:13,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:13,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:13,858   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:13,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:13,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:13,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:13,867   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:13,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:13,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:13,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:13,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:13,876   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:13,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:13,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:13,883   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:28:13,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:28:13,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:28:13,890   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:28:13,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:28:13,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:28:13,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:28:13,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:28:13,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:28:13,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:28:13,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:28:13,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:28:13,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:28:13,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:28:13,913   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:28:13,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:28:13,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:28:13,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:28:13,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:28:13,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:28:13,924   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:28:13,926   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:28:13,928   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:28:13,930   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:28:13,932   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:28:13,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:28:13,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:28:13,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:28:13,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:28:13,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:28:13,945   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:28:13,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:28:13,949   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:28:13,950   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:28:13,953   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:28:13,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:28:13,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:28:13,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:28:13,961   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:28:13,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:28:13,965   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:28:13,967   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:28:13,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:28:13,971   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:28:13,974   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:28:13,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:28:13,978   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:28:13,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:28:13,982   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:28:13,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:28:13,986   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:28:13,987   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:28:13,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:28:13,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:28:13,994   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:28:13,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:28:13,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:28:13,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:28:14,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:28:14,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:28:14,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:28:14,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:28:14,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:28:14,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:28:14,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:28:14,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:28:14,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:28:14,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:28:14,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:28:14,023   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:28:14,026   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:28:14,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:28:14,030   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:28:14,031   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:28:14,034   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:28:14,035   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:28:14,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:28:14,039   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:28:14,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:28:14,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:28:14,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:28:14,048   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:28:14,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:28:14,052   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:28:14,054   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:28:14,056   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:28:14,058   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:28:14,059   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:28:14,062   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:28:14,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:28:14,066   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:28:14,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:28:14,070   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:28:14,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:28:14,074   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:28:14,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:28:14,078   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:28:14,079   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:28:14,082   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:28:14,083   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:28:14,086   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:28:14,087   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:28:14,090   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:28:14,091   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:28:14,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:28:14,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:28:14,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:28:14,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:28:14,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:28:14,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:28:14,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:28:14,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:28:14,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:28:14,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:28:14,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:28:14,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:28:14,118   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:28:14,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:28:14,122   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:28:14,124   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:28:14,126   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:28:14,128   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:28:14,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:28:14,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:28:14,134   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:28:14,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:28:14,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:28:14,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:28:14,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:28:14,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:28:14,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:28:14,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:28:14,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:28:14,151   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:28:14,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:28:14,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:28:14,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:28:14,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:28:14,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:14,164   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:14,167   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:14,168   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:14,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:14,172   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:14,175   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:14,176   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:14,179   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:14,180   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:14,183   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:14,184   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:14,187   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:14,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:14,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:14,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:14,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:14,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:14,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:14,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:14,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:14,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:14,209   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:14,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:14,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:14,214   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:14,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:14,218   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:14,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:14,222   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:14,225   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:14,226   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:14,229   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:14,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:14,233   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:14,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:14,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:14,239   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:14,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:14,243   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:14,245   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:14,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:14,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:14,251   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:14,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:14,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:14,258   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:14,259   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:14,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:14,263   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:14,265   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:14,267   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:14,269   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:14,271   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:14,273   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:14,275   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:14,277   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:14,279   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:14,281   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:14,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:14,285   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:14,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:14,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:14,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:14,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:14,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:14,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:14,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:14,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:14,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:14,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:14,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:14,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:14,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:14,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:14,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:14,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:14,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:14,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:14,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:14,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:14,328   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:14,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:14,332   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:14,334   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:14,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:14,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:14,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:14,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:28:14,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:28:14,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:14,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:14,350   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:14,351   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:14,354   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:28:14,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:28:14,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:14,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:14,362   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:14,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:14,366   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:28:14,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:28:14,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:14,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:14,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:28:14,375   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:28:14,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:28:14,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:28:14,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:14,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:14,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:14,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:14,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:28:14,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:28:14,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:14,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:14,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:28:14,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:28:14,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:28:14,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:28:14,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:28:14,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:28:14,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:28:14,411   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:28:14,414   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:28:14,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:28:14,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:28:14,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:28:14,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:28:14,423   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:28:14,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:28:14,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:28:14,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:28:14,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:28:14,434   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:14,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:14,438   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:14,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:14,442   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:14,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:14,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:28:14,448   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:28:14,451   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:28:14,452   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:28:14,454   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:28:14,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:28:14,458   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:28:14,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:28:14,462   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:28:14,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:28:14,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:28:14,468   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:28:14,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:28:14,472   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:28:14,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:28:14,476   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:28:14,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:28:14,480   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:28:14,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:28:14,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:28:14,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:28:14,487   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:28:14,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:28:14,491   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:28:14,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:28:14,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:28:14,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:28:14,499   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:28:14,502   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:28:14,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:28:14,506   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:28:14,508   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:28:14,511   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:28:14,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:28:14,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:28:14,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:28:14,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:28:14,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:28:14,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:28:14,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:28:14,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:28:14,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:28:14,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:28:14,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:28:14,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:28:14,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:28:14,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:28:14,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:28:14,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:28:14,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:28:14,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:28:14,549   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:28:14,551   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:28:14,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:28:14,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:28:14,557   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:28:14,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:28:14,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:28:14,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:28:14,564   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:28:14,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:28:14,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:28:14,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:28:14,572   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:28:14,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:28:14,576   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:28:14,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:28:14,581   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:28:14,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:28:14,585   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:28:14,588   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:28:14,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:28:14,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:28:14,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:28:14,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:28:14,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:28:14,599   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:28:14,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:28:14,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:28:14,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:28:14,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:28:14,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:28:14,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:28:14,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:28:14,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:28:14,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:28:14,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:28:14,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:28:14,623   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:28:14,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:28:14,627   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:28:14,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:28:14,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:28:14,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:28:14,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:28:14,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:28:14,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:28:14,641   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:28:14,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:28:14,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:28:14,648   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:28:14,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:28:14,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:28:14,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:28:14,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:28:14,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:28:14,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:28:14,661   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:28:14,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:28:14,665   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:28:14,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:28:14,669   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:28:14,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:28:14,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:28:14,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:28:14,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:28:14,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:28:14,683   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:28:14,686   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:28:14,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:28:14,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:28:14,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:28:14,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:28:14,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:28:14,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:28:14,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:28:14,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:14,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:14,712   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:14,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:14,716   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:14,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:14,721   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:14,723   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:14,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:14,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:14,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:14,954   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:14,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:14,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:14,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:14,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:14,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:14,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:14,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:14,973   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:14,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:14,977   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:14,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:28:14,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:28:14,985   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:28:14,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:28:14,989   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:28:14,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:28:14,993   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:28:14,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:28:14,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:28:15,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:28:15,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:28:15,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:28:15,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:28:15,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:28:15,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:28:15,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:28:15,015   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:28:15,016   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:28:15,019   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:28:15,020   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:28:15,023   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:28:15,025   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:28:15,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:28:15,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:28:15,032   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:28:15,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:28:15,036   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:28:15,038   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:28:15,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:28:15,043   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:28:15,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:15,048   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:15,051   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:15,052   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:15,055   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:28:15,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:28:15,059   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:28:15,060   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:28:15,063   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:28:15,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:28:15,067   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:28:15,068   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:28:15,071   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:15,072   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:15,075   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:15,076   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:15,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:28:15,080   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:28:15,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:28:15,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:28:15,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:28:15,089   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:28:15,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:28:15,093   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:28:15,095   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:28:15,097   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:28:15,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:15,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:15,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:28:15,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:28:15,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:28:15,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:28:15,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:28:15,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:28:15,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:28:15,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:28:15,118   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:15,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:15,122   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:28:15,124   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:28:15,126   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:28:15,128   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:28:15,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:15,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:15,134   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:15,136   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:15,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:28:15,140   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:28:15,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:15,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:15,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:15,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:15,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:28:15,151   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:28:15,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:28:15,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:28:15,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:28:15,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:28:15,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:15,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:15,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:28:15,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:28:15,170   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:28:15,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:28:15,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:28:15,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:28:15,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:15,179   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:15,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:28:15,183   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:28:15,185   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:15,187   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:15,189   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:15,191   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:15,194   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:28:15,195   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:28:15,197   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:28:15,199   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:28:15,201   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:28:15,203   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:28:15,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:28:15,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:28:15,209   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:15,211   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:15,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:15,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:15,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:15,219   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:15,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:28:15,222   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:28:15,225   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:28:15,226   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:28:15,229   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:28:15,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:28:15,233   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:28:15,234   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:28:15,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:28:15,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:28:15,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:28:15,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:28:15,245   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:28:15,246   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:28:15,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:15,250   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:15,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:15,254   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:15,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:28:15,258   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:28:15,261   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:28:15,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:28:15,265   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:28:15,266   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:28:15,269   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:28:15,271   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:28:15,273   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:28:15,275   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:28:15,277   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:15,279   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:15,281   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:28:15,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:28:15,285   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:15,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:15,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:28:15,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:28:15,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:28:15,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:28:15,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:28:15,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:28:15,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:28:15,302   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:28:15,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:15,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:15,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:15,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:15,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:15,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:15,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:15,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:15,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:15,324   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:15,326   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:28:15,328   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:28:15,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:15,332   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:15,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:15,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:15,339   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:15,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:15,343   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:15,344   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:15,347   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:15,348   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:15,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:15,352   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:15,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:15,356   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:15,359   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:15,360   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:15,363   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:15,366   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:15,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:15,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:15,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:15,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:15,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:15,382   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:15,385   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:15,386   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:15,389   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:15,390   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:15,393   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:15,394   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:15,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:15,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:15,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:15,404   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:15,406   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:28:15,408   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:28:15,410   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:28:15,412   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:28:15,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:28:15,416   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:28:15,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:15,420   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:15,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:28:15,424   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:28:15,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:15,429   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:15,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:28:15,433   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:28:15,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:15,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:15,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:28:15,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:28:15,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:28:15,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:28:15,447   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:28:15,448   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:28:15,451   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:15,452   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:15,455   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:15,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:15,459   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:28:15,461   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:28:15,463   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:15,465   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:15,467   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:28:15,469   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:28:15,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:28:15,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:28:15,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:28:15,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:28:15,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:28:15,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:28:15,485   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:15,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:15,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:15,491   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:15,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:28:15,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:28:15,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:15,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:15,502   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:28:15,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:28:15,506   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:28:15,508   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:28:15,510   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:15,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:15,514   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:28:15,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:28:15,518   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:15,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:15,522   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:15,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:15,526   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:15,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:15,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:28:15,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:28:15,534   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:28:15,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:28:15,538   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:15,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:15,542   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:15,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:15,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:15,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:15,552   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:28:15,554   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:28:15,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:15,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:15,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:15,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:15,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:28:15,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:28:15,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:15,571   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:15,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:28:15,575   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:28:15,578   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:15,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:15,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:15,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:15,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:28:15,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:28:15,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:15,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:15,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:15,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:15,598   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:28:15,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:28:15,602   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:28:15,603   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:28:15,606   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:15,607   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:15,610   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:28:15,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:28:15,614   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:28:15,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:28:15,618   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:28:15,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:28:15,623   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:15,624   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:15,627   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:15,628   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:15,631   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:28:15,632   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:28:15,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:15,636   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:15,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:15,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:15,643   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:15,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:15,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:15,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:15,651   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:15,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:15,655   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:28:15,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:28:15,659   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:15,661   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:15,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:15,665   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:15,667   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:15,669   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:15,671   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:28:15,673   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:28:15,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:28:15,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:28:15,679   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:15,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:15,683   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:15,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:15,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:15,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:15,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:15,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:15,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:28:15,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:28:15,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:28:15,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:28:15,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:15,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:15,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:15,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:15,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:28:15,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:28:15,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:15,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:15,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:15,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:15,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:28:15,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:28:15,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:15,729   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:15,731   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:15,733   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:15,735   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:15,737   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:15,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:15,741   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:15,743   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:28:15,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:28:15,747   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:28:15,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:28:15,751   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:28:15,752   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:28:15,755   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:15,756   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:15,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:15,760   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:15,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:15,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:15,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:28:15,768   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:28:15,771   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:28:15,772   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:28:15,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:28:15,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:28:15,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:28:15,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:28:15,783   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:28:15,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:28:15,787   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:15,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:15,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:15,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:15,795   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:15,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:15,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:28:15,800   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:28:15,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:15,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:15,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:15,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:15,810   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:15,811   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:15,814   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:28:15,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:28:15,818   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:15,819   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:15,822   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:15,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:15,826   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:15,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:15,830   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:15,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:15,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:28:15,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:28:15,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:28:15,841   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:28:15,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:28:15,845   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:28:15,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:28:15,849   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:28:15,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:15,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:15,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:15,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:15,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:15,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:15,864   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:15,866   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:15,868   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:28:15,870   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:28:15,872   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:28:15,874   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:28:15,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:15,878   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:15,881   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:15,882   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:15,884   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:28:15,886   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:28:15,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:15,890   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:15,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:28:15,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:28:15,896   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:15,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:15,900   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:15,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:15,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:28:15,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:28:15,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:28:15,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:28:15,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:15,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:15,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:15,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:15,920   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:15,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:15,925   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:15,927   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:15,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:15,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:15,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:15,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:15,938   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:15,939   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:15,942   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:15,943   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:15,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:28:15,947   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:28:15,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:15,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:15,954   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:15,956   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:15,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:15,960   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:15,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:15,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:15,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:15,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:15,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:15,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:15,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:28:15,976   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:28:15,979   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:28:15,980   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:28:15,983   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:28:15,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:28:15,987   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:15,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:15,991   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:15,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:15,996   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:28:15,997   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:28:16,000   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:28:16,002   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:28:16,004   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:16,006   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:16,008   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:16,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:16,012   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:28:16,013   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:28:16,016   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:16,017   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:16,020   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:16,021   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:16,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:28:16,025   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:28:16,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:28:16,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:28:16,032   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:28:16,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:28:16,036   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:28:16,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:28:16,040   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:16,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:16,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:28:16,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:28:16,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:28:16,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:28:16,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:16,053   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:16,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:16,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:16,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:16,061   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:16,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:28:16,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:28:16,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:16,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:16,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:16,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:16,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:28:16,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:28:16,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:28:16,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:28:16,085   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:28:16,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:28:16,089   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:28:16,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:28:16,093   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:16,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:16,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:16,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:16,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:16,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:16,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:16,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:16,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:16,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:16,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:16,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:16,118   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:16,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:16,123   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:16,124   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:16,127   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:16,128   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:16,131   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:28:16,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:28:16,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:28:16,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:28:16,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:16,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:16,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:16,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:16,148   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:16,149   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:16,152   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:16,153   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:16,156   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:16,157   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:16,160   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:16,161   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:16,164   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:16,166   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:16,168   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:16,170   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:16,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:16,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:16,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:16,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:16,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:16,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:16,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:16,186   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:16,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:16,190   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:16,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:16,194   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:16,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:16,198   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:16,201   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:16,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:16,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:16,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:16,209   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:16,211   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:16,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:28:16,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:28:16,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:16,218   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:16,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:16,222   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:16,225   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:16,226   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:16,229   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:28:16,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:28:16,232   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:16,234   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:16,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:16,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:16,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:16,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:16,245   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:16,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:16,250   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:16,251   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:16,254   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:16,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:16,258   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:16,259   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:16,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:16,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:16,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:16,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:16,270   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:16,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:16,274   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:16,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:16,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:16,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:16,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:16,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:16,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:16,290   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:16,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:16,294   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:16,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:28:16,298   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:28:16,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:16,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:16,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:16,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:16,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:28:16,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:28:16,313   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:16,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:16,317   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:16,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:16,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:16,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:16,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:16,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:16,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:16,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:16,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:16,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:16,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:16,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:16,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:16,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:16,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:16,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:16,350   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:16,352   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:16,354   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:16,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:16,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:16,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:16,362   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:16,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:16,366   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:16,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:16,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:16,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:16,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:16,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:16,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:16,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:16,383   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:16,385   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:16,387   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:16,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:16,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:16,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:16,396   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:28:16,397   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:28:16,400   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:16,401   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:16,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:16,405   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:16,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:16,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:16,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:28:16,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:28:16,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:16,418   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:16,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:16,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:16,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:16,426   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:16,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:16,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:16,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:16,434   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:16,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:16,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:16,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:16,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:16,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:16,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:16,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:16,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:16,452   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:16,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:16,456   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:28:16,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:28:16,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:16,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:16,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:16,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:16,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:16,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:16,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:28:16,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:28:16,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:16,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:16,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:16,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:16,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:16,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:16,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:16,490   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:16,492   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:28:16,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:28:16,497   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:16,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:16,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:16,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:16,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:16,506   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:16,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:16,510   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:16,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:16,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:16,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:16,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:16,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:28:16,522   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:28:16,525   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:16,527   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:16,529   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:16,531   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:16,534   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:16,535   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:16,538   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:16,539   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:16,542   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:16,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:16,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:16,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:16,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:16,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:16,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:16,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:16,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:16,561   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:16,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:16,565   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:16,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:16,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:16,571   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:28:16,572   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:28:16,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:16,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:16,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:16,581   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:16,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:16,585   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:16,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:16,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:16,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:16,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:16,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:28:16,598   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:28:16,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:16,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:16,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:28:16,607   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:28:16,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:28:16,611   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:28:16,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:16,615   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:16,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:16,619   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:16,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:16,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:16,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:16,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:16,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:16,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:16,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:28:16,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:28:16,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:16,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:16,641   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:16,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:16,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:16,646   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:16,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:16,650   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:16,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:16,654   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:16,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:16,658   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:16,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:16,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:16,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:16,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:16,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:16,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:16,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:16,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:16,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:16,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:16,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:16,682   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:16,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:16,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:16,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:16,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:16,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:28:16,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:28:16,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:16,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:16,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:16,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:16,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:28:16,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:28:16,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:16,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:16,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:16,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:16,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:16,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:16,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:16,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:16,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:16,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:16,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:16,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:16,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:16,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:16,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:28:16,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:28:16,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:16,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:16,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:16,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:16,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:16,752   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:16,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:16,756   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:16,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:16,760   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:16,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:28:16,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:28:16,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:16,768   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:16,771   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:16,772   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:16,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:28:16,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:28:16,778   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:16,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:16,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:16,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:16,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:16,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:16,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:16,791   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:16,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:28:16,795   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:28:16,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:28:16,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:28:16,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:16,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:16,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:16,807   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:16,810   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:16,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:16,814   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:16,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:16,818   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:16,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:16,822   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:16,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:16,826   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:16,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:16,830   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:16,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:16,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:16,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:16,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:16,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:16,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:16,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:16,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:16,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:16,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:16,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:16,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:16,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:16,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:16,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:16,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:16,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:16,867   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:16,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:16,871   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:16,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:16,875   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:16,876   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:16,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:28:16,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:28:16,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:28:16,884   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:28:16,886   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:16,888   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:16,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:16,892   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:16,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:16,896   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:16,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:16,900   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:16,903   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:16,904   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:16,907   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:16,908   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:16,911   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:16,912   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:16,915   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:16,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:16,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:16,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:16,923   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:28:16,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:28:16,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:16,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:16,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:28:16,932   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:28:16,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:28:16,936   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:28:16,938   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:16,940   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:16,942   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:16,944   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:16,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:16,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:16,951   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:28:16,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:28:16,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:28:16,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:28:16,959   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:16,961   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:16,964   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:28:16,965   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:28:16,968   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:16,970   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:16,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:16,974   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:16,977   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:16,978   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:16,981   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:16,983   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:16,985   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:16,987   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:16,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:28:16,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:28:16,994   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:16,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:16,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:17,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:17,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:17,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:17,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:17,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:17,011   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:17,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:17,015   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:17,016   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:17,019   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:17,020   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:17,023   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:17,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:17,027   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:17,028   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:17,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:17,032   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:17,035   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:17,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:17,040   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:17,041   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:17,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:17,045   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:17,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:17,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:17,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:17,053   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:17,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:17,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:17,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:17,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:17,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:17,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:17,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:17,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:17,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:17,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:17,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:17,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:17,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:17,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:17,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:28:17,085   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:28:17,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:28:17,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:28:17,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:28:17,094   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:28:17,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:28:17,098   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:28:17,101   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:28:17,102   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:28:17,105   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:17,106   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:17,109   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:17,110   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:17,113   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:28:17,114   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:28:17,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:17,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:17,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:28:17,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:28:17,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:17,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:17,129   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:28:17,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:28:17,133   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:28:17,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:28:17,137   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:17,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:17,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:17,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:17,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:17,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:17,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:17,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:17,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:17,156   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:17,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:17,160   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:17,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:17,164   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:17,167   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:17,168   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:17,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:17,173   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:17,175   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:17,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:17,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:17,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:17,183   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:17,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:17,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:17,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:17,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:17,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:17,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:17,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:17,199   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:17,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:17,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:17,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:17,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:17,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:17,211   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:17,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:17,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:17,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:17,220   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:17,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:17,224   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:17,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:17,228   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:17,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:17,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:17,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:17,236   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:17,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:17,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:17,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:17,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:17,246   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:17,248   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:17,250   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:17,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:17,254   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:17,256   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:17,258   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:17,260   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:17,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:17,265   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:17,266   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:17,269   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:17,271   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:17,274   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:17,275   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:17,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:17,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:17,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:17,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:17,287   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:17,288   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:17,291   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:17,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:17,295   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:17,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:17,299   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:17,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:17,303   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:17,305   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:17,307   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:17,309   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:17,311   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:17,313   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:17,315   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:17,317   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:17,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:17,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:17,324   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:17,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:17,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:17,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:17,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:17,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:17,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:17,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:17,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:17,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:17,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:17,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:17,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:17,351   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:17,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:17,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:17,357   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:17,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:17,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:17,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:17,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:17,366   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:17,369   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:17,370   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:17,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:17,374   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:17,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:17,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:17,381   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:17,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:17,385   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:17,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:17,389   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:17,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:17,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:17,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:17,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:17,400   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:17,403   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:17,405   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:17,407   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:17,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:17,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:17,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:17,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:17,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:17,420   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:17,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:17,424   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:17,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:17,428   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:17,429   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:17,432   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:17,433   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:17,436   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:17,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:17,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:17,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:17,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:17,447   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:17,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:17,451   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:17,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:17,455   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:17,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:17,459   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:17,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:17,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:17,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:17,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:17,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:17,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:17,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:17,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:17,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:17,480   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:17,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:17,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:17,487   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:17,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:17,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:17,493   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:17,496   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:17,497   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:17,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:17,501   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:17,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:17,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:17,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:17,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:17,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:17,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:17,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:17,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:17,521   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:17,522   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:17,525   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:17,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:17,529   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:17,530   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:17,533   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:17,534   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:17,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:17,538   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:17,541   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:17,542   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:17,545   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:17,546   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:17,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:17,550   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:17,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:17,554   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:17,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:17,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:17,560   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:17,561   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:17,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:17,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:17,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:17,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:17,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:17,575   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:17,578   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:17,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:17,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:17,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:17,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:17,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:17,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:17,592   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:17,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:17,596   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:17,599   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:17,600   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:17,603   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:17,604   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:17,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:17,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:17,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:17,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:17,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:17,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:17,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:17,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:17,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:17,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:17,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:17,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:17,631   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:17,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:17,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:17,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:17,640   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:17,641   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:17,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:17,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:17,648   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:17,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:17,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:17,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:17,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:17,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:17,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:17,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:17,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:17,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:17,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:17,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:17,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:17,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:17,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:17,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:17,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:17,682   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:17,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:17,686   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:17,689   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:17,690   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:17,693   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:17,694   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:17,697   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:17,698   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:17,701   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:17,702   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:17,705   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:17,706   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:17,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:17,710   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:17,713   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:17,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:17,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:17,719   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:17,722   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:17,723   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:17,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:17,727   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:17,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:17,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:17,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:17,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:17,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:17,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:17,743   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:17,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:17,747   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:17,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:17,751   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:17,753   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:17,755   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:17,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:17,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:17,761   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:17,763   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:17,765   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:17,767   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:17,769   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:17,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:17,774   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:17,777   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:17,779   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:17,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:17,783   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:17,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:17,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:17,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:17,793   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:17,795   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:17,797   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:17,799   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:17,801   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:17,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:17,805   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:17,808   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:17,810   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:17,814   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:17,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:17,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:17,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:17,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:17,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:17,828   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:17,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:17,832   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:17,834   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:17,836   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:17,838   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:17,840   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:17,842   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:17,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:17,846   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:17,849   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:17,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:17,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:17,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:17,857   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:17,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:17,861   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:17,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:17,865   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:17,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:17,869   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:17,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:17,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:17,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:17,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:17,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:17,881   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:17,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:17,885   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:17,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:17,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:17,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:17,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:17,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:17,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:17,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:17,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:17,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:17,906   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:17,907   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:17,910   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:28:17,912   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:28:17,915   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:28:17,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:28:17,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:28:17,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:28:17,923   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:28:17,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:28:17,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:28:17,929   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:28:17,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:28:17,933   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:28:17,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:28:17,937   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:28:17,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:28:17,941   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:28:17,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:28:17,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:28:17,949   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:28:17,951   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:28:17,953   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:28:17,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:28:17,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:28:17,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:28:17,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:28:17,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:28:17,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:28:17,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:28:17,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:28:17,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:28:17,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:28:17,977   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:28:17,979   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:28:17,981   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:28:17,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:28:17,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:28:17,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:28:17,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:28:17,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:28:17,994   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:28:17,996   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:28:17,998   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:28:18,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:28:18,002   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:28:18,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:28:18,006   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:28:18,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:28:18,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:28:18,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:28:18,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:28:18,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:28:18,020   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:28:18,023   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:28:18,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:28:18,027   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:28:18,028   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:28:18,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:28:18,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:28:18,036   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:28:18,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:28:18,040   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:28:18,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:28:18,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:28:18,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:28:18,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:28:18,050   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:28:18,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:28:18,054   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:28:18,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:28:18,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:28:18,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:28:18,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:28:18,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:28:18,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:28:18,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:28:18,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:28:18,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:28:18,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:28:18,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:28:18,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:28:18,080   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:28:18,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:28:18,084   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:28:18,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:28:18,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:28:18,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:28:18,093   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:28:18,094   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:28:18,097   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:28:18,098   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:28:18,101   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:28:18,102   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:28:18,105   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:28:18,106   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:28:18,109   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:28:18,110   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:28:18,113   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:28:18,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:28:18,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:28:18,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:28:18,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:28:18,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:28:18,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:28:18,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:28:18,129   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:28:18,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:28:18,133   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:28:18,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:28:18,137   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:28:18,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:28:18,141   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:28:18,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:28:18,145   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:28:18,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:28:18,149   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:28:18,151   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:28:18,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:28:18,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:28:18,157   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:28:18,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:28:18,161   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:28:18,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:28:18,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:28:18,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:28:18,170   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:28:18,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:28:18,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:28:18,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:28:18,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:28:18,179   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:28:18,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:28:18,183   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:28:18,186   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:28:18,188   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:28:18,190   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:28:18,192   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:28:18,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:28:18,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:28:18,198   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:28:18,200   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:28:18,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:28:18,204   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:28:18,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:28:18,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:28:18,211   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:28:18,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:28:18,215   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:28:18,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:28:18,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:28:18,220   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:28:18,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:28:18,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:28:18,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:18,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:18,232   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:18,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:18,236   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:28:18,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:28:18,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:28:18,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:28:18,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:18,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:18,248   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:18,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:18,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:28:18,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:28:18,255   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:28:18,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:28:18,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:28:18,261   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:28:18,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:28:18,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:28:18,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:28:18,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:28:18,272   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:18,273   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:18,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:18,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:18,280   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:18,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:18,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:28:18,286   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:28:18,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:18,290   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:18,292   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:28:18,294   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:28:18,296   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:18,298   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:18,300   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:28:18,302   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:28:18,304   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:18,305   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:18,308   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:28:18,309   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:28:18,312   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:18,314   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:18,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:18,317   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:18,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:18,321   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:18,324   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:18,325   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:18,327   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:18,329   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:18,331   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:18,332   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:18,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:18,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:18,339   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:18,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:18,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:18,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:18,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:18,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:18,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:18,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:18,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:18,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:18,356   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:18,358   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:18,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:18,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:18,364   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:18,365   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:18,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:18,369   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:18,371   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:18,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:18,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:18,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:18,379   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:18,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:18,383   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:18,385   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:18,387   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:18,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:18,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:18,392   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:18,395   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:18,396   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:18,399   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:18,400   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:18,403   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:18,404   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:18,407   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:18,408   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:18,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:18,412   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:18,414   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:18,416   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:18,418   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:18,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:18,422   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:18,423   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:18,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:18,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:18,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:18,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:18,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:18,434   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:18,436   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:18,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:18,440   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:18,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:18,444   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:18,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:18,448   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:18,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:18,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:18,455   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:18,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:18,459   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:18,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:18,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:18,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:18,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:18,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:18,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:18,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:18,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:18,477   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:18,479   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:18,481   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:18,483   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:18,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:18,487   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:18,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:18,491   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:18,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:18,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:18,497   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:18,499   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:18,501   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:18,503   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:18,505   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:18,507   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:18,510   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:18,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:18,514   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:18,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:18,518   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:18,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:18,522   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:18,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:18,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:18,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:18,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:18,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:18,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:18,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:18,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:18,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:18,544   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:18,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:18,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:18,549   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:18,552   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:18,553   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:18,556   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:18,557   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:18,560   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:18,561   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:18,564   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:18,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:18,568   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:18,569   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:18,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:18,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:18,577   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:18,578   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:18,581   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:18,582   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:18,585   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:18,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:18,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:18,590   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:18,593   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:18,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:18,598   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:18,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:18,602   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:18,603   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:18,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:18,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:18,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:18,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:18,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:18,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:18,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:18,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:18,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:18,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:18,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:18,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:18,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:18,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:18,636   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:18,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:18,640   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:18,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:18,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:18,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:18,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:18,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:18,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:18,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:18,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:18,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:18,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:18,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:18,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:18,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:18,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:18,672   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:18,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:18,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:18,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:18,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:18,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:18,686   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:18,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:18,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:18,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:18,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:18,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:18,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:18,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:18,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:18,705   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:18,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:18,709   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,712   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,714   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,717   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,719   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,722   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,724   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,728   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,730   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,733   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,736   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,738   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,741   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,743   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,746   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,749   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,751   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,754   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,756   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,759   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,762   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,764   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,767   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,769   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,772   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,774   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,777   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,779   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,782   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,784   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,787   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,790   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,793   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,795   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,798   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,800   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,803   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,806   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,808   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,811   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,813   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,816   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,819   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,821   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,824   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,827   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,829   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,832   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,834   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,837   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,840   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,842   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,845   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,848   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,850   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,853   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,855   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,858   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,860   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,863   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,865   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,868   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,871   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,873   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,876   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,878   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,882   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,885   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,887   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,890   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,892   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,895   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,898   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,900   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,903   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,906   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,908   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,911   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,914   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,916   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,919   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,922   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,924   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,927   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,929   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,932   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,934   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,937   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,940   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,942   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,945   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,948   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,950   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,953   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,955   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,958   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,961   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,963   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:18,965   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,967   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,970   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,972   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,975   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,977   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,980   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,982   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,985   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,988   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,990   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,993   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,995   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:18,998   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,001   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,003   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,006   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,008   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,011   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,014   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,016   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,019   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,021   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,024   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,027   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,029   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,032   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,034   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,037   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,039   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,042   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,045   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,047   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,050   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,052   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,055   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,058   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,060   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,063   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,066   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,068   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,071   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,074   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,076   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,079   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,081   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,084   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,086   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,089   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,092   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,094   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,097   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,100   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,103   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,105   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,108   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,111   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,113   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,116   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,118   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,121   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,123   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,126   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,129   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,131   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,134   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,136   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,139   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,142   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,144   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,147   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,150   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,152   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,155   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,157   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,160   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,163   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,165   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,168   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,170   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,173   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,176   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,178   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,181   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,184   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,186   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,189   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,192   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,194   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,197   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,200   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,202   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,205   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,207   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,210   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,213   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,216   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,218   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,221   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,223   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,226   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,228   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:19,231   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,232   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,235   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,237   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,240   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,242   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,245   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,248   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,250   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,253   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,255   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,258   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,260   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,263   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,266   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,269   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,271   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,274   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,277   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,279   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,282   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,285   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,287   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,290   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,292   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,295   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,298   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,300   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,303   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,306   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,308   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,310   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,313   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,316   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:19,318   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,320   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,323   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,325   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,328   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,330   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,333   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,336   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,338   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,341   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,344   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,346   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,349   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,352   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,354   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,357   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,359   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,362   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,365   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,368   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,370   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,373   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,376   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,378   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,381   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,383   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,386   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,388   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,391   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,393   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,395   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,398   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,400   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,403   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,405   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,408   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,410   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,413   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,415   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,418   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,421   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,423   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,426   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,429   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,431   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,434   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,436   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:19,439   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,440   copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,443   copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,446   copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,448   copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,451   copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,454   copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,457   copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,459   copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,462   copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,465   copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,467   copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,469   copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,472   copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,474   copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,477   copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,479   copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,482   copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,485   copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,487   copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,490   copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,493   copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,496   copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,499   copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,501   copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,504   copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,506   copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,509   copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:19,511   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,513   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,515   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,518   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,520   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,523   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,525   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,528   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,530   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,533   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,536   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,538   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,540   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,543   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,546   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,549   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,551   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,554   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,556   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,559   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,562   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,565   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,567   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,570   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,573   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,576   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,579   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,581   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,584   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,587   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,589   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,592   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,595   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,597   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,600   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,603   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,605   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,608   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,610   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,612   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,615   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,617   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,620   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,622   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,625   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,627   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,630   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,633   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,635   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,638   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,641   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,644   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,646   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,649   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,651   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,654   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,656   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,659   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,661   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,664   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,667   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,669   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,671   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,674   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,677   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,680   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,682   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,685   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,688   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,691   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,693   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,696   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,699   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,701   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,704   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,707   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,709   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,712   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,714   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,717   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,719   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,722   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,725   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,727   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,730   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,732   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,735   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,737   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,740   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,742   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,745   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,748   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,750   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,753   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,755   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,758   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,761   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,763   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,766   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,769   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,772   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,774   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,777   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,780   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,782   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,785   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,787   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,790   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,792   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,795   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,798   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,801   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,804   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,807   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,810   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,812   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,815   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,817   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,820   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,822   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,825   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,827   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,830   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,832   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,835   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,838   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,842   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,845   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,848   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,851   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,853   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,856   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,858   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,860   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,863   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,865   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,868   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,870   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,873   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,876   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,878   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,882   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,885   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,887   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,890   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,894   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,896   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,899   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,901   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,904   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,907   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,910   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,912   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,915   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,918   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,921   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,924   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,926   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,929   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,932   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,934   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,937   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,940   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,943   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,945   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,948   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,950   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,953   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,956   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,959   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,961   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,964   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,967   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,970   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,972   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,975   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,978   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,980   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,983   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,986   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,989   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,991   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,994   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,996   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:19,999   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,002   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,004   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,007   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,009   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,012   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,015   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,017   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,020   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,023   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,026   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,028   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,031   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,033   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,036   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,039   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,041   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,044   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,047   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,049   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,052   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,055   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,057   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,060   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,062   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,065   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,068   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,070   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,073   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,075   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,078   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,081   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,084   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,086   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,089   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,092   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,094   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,097   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,100   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,102   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,105   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,107   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,110   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,113   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,116   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,118   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,121   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,124   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,126   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,129   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,131   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,134   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,136   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,139   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,142   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,144   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,147   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,150   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,152   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,155   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,157   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,160   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,163   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,166   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,168   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,171   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,174   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,177   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,179   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,182   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,185   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,188   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,191   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,193   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,196   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,198   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,201   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,203   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,206   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,209   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,211   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,217   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,220   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,222   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,225   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,228   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,231   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,234   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,236   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,239   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,242   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,244   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,247   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,250   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,252   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,255   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,258   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,261   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,264   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,267   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,269   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,272   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,275   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,277   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,280   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,282   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,285   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,288   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,291   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,293   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,296   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,299   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,302   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,304   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,307   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,310   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,313   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,315   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,318   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,321   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,324   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,326   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,329   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,332   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,335   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,337   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,340   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,343   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,345   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,348   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,350   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,353   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,356   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,359   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,361   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,364   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,367   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,369   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,372   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,375   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,378   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,381   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,383   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,386   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,389   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,392   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,395   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,397   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,400   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,402   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,405   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,407   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,410   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,412   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,415   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,417   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,420   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,423   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,425   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,428   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,430   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,433   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,436   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,438   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,441   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,443   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,446   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,449   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,451   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,454   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,456   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,459   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,462   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,464   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,467   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,470   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,472   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,475   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,477   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,480   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,483   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,486   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,488   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,491   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,494   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,496   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,499   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,501   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,504   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,507   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,509   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,512   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,515   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,517   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,520   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,523   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,526   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,528   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,531   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,533   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,536   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,539   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,542   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,545   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,547   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,550   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,553   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,556   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,558   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,561   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,563   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,566   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,569   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,571   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,574   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,576   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,579   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,581   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,584   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,587   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,589   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,592   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,595   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,597   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,600   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,602   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,605   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,608   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,610   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,613   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,615   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,618   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,620   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,624   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,626   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,629   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,632   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,635   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,637   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,640   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,643   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,645   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,648   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,650   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,653   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,656   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,658   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,661   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,664   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,666   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,669   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,672   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,674   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,677   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,679   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,682   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,685   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,688   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,691   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,693   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,697   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,699   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,702   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,705   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,708   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,711   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,714   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,716   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,719   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,722   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,725   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,727   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,730   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,733   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,736   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,738   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,741   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,743   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,746   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,748   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,751   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,753   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,756   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,759   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,761   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,764   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,766   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,769   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,772   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,774   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,777   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,780   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,782   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,785   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,788   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,790   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,793   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,796   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,799   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,802   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,804   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,807   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,809   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,812   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,814   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,817   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,820   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,822   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,825   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,828   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,830   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,833   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,835   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,838   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,841   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,843   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,846   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,848   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,851   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,853   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,856   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,858   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,861   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,864   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,866   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,869   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,872   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,874   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,877   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,879   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,882   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,884   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,887   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,890   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,892   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,895   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,898   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,900   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,903   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,905   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,908   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,911   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,913   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,916   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,919   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,921   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,924   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,927   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,929   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,932   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,934   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,937   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,939   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,942   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,945   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,947   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,949   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,952   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,955   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,957   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,960   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,963   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,965   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,968   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,970   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,973   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,976   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,978   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,981   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,983   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,986   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,989   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,992   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,994   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:20,997   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,000   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,003   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,005   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,008   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,010   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,013   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,016   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,018   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,021   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,024   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,026   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,029   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,032   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,034   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,037   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,040   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,043   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,045   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,048   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,050   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,053   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,056   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,059   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,061   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,064   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,067   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,069   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,072   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,074   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,077   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,079   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,082   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,085   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,088   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,090   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,093   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,096   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,099   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,101   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,104   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,107   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,109   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,112   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,115   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,118   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,121   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,123   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,126   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,128   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,132   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,134   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,137   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,139   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,142   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,145   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,147   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,150   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,153   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,155   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,158   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,161   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,165   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,168   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,171   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,174   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,177   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,180   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,183   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,186   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,189   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,192   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,196   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,199   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,202   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,205   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,208   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,211   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,217   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,221   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,224   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,227   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,230   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,233   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,236   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,239   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,241   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,245   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,247   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,250   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,253   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,256   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,259   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,261   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,264   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,267   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,269   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,272   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,275   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,278   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,281   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:21,284   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,285   copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,288   copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,290   copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,293   copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,295   copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,298   copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,300   copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,303   copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,306   copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,308   copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,311   copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,314   copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,316   copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,319   copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,321   copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,324   copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:21,326   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,328   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,331   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,334   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,336   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,339   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,342   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,345   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,347   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,350   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,353   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,356   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,358   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,361   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,364   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,366   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,369   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,371   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,374   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,376   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,378   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,381   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,383   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,386   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,388   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,391   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,393   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,396   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,398   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,401   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,403   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,406   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,408   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,411   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,413   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,416   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,419   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,421   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,424   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,426   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,429   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,431   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,433   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,436   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,438   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,441   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,443   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,446   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,448   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,450   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,453   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,455   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,458   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,460   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,463   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,465   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,468   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,470   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,473   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,476   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,478   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,481   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,483   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,486   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,488   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,491   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,493   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,496   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,498   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,501   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,504   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,506   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,508   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,511   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,513   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,516   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,519   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,521   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,524   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,527   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,529   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,532   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,535   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,537   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,540   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,542   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,545   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,548   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,551   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,553   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,556   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,559   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,561   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,564   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,566   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,569   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,571   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,574   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,576   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,579   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,581   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,584   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,586   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,589   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,591   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,594   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,597   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,600   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,602   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,605   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,608   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,610   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,613   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,616   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,619   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,622   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,625   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,628   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,631   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,633   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,635   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,638   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,640   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,642   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,645   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,647   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,649   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,651   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,654   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,656   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:21,658   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,660   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,663   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,665   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,668   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,671   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,674   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,677   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,679   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:21,682   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,683   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,686   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,690   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,692   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,695   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,698   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,701   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,704   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,706   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,709   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,711   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,714   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,716   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,719   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,721   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,724   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,726   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,729   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,731   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,734   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,736   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,738   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,741   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,743   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,746   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,748   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,751   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,753   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,757   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,760   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,763   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,766   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,769   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,772   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,775   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,778   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,781   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,783   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,786   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,788   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,791   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,793   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,796   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,798   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,801   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,803   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,805   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,808   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,810   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,813   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,815   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,818   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,820   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,822   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,825   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,828   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,830   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,833   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,835   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,838   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,840   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,843   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,845   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:21,848   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,849   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,852   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,854   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,857   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,859   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,862   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,864   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,867   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,869   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,871   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,874   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,876   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,879   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,881   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,884   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,886   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,889   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,891   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,894   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,896   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,899   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,901   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,904   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,907   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,910   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,912   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,915   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,917   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,920   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,922   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,925   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,927   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,930   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,932   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,935   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,937   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,939   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,942   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,944   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,947   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,949   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,952   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,954   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,957   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,959   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,962   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,965   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,967   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,970   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,972   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,975   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,978   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:21,980   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:21,981   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:21,984   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:21,986   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:21,989   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:21,991   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:21,992   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:21,995   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:21,998   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,000   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,003   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,005   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,008   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,011   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,013   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,016   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,019   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,021   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,024   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,026   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,029   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,031   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,034   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,037   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,039   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,042   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,045   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,047   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,050   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,052   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,055   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,057   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,060   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,062   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,065   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,067   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,070   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:22,072   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,073   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,076   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,078   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,081   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,083   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,086   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,088   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,091   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,094   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,096   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,098   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,101   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,104   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,106   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,109   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,111   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,114   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,116   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,119   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,121   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,124   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,126   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,128   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,131   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,133   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,136   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,138   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,141   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,143   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,146   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,148   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,151   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,153   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,156   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,158   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,161   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,163   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,166   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,168   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,171   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,173   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,176   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,178   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,181   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,183   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,186   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,188   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,191   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,193   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,195   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,198   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,201   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,203   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,206   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,208   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,211   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,213   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,216   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,218   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,221   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,223   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,226   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,228   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,231   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,234   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,236   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,238   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,241   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,244   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,246   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,249   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,251   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,254   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,256   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,259   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,261   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,264   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,266   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,269   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,271   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,274   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,276   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,279   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,281   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,284   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,287   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,290   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,292   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,295   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,297   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,300   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,302   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,304   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,307   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,309   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,311   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,314   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,316   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,318   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,321   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,324   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,326   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,329   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,331   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,334   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,336   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,338   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,341   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,343   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,346   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,348   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,351   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,353   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,356   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,358   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,361   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,363   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,366   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,368   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,370   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,373   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,375   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,378   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,380   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,383   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,385   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,388   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,390   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,392   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,395   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,397   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,400   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,402   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,405   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,407   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,410   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,412   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,415   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,417   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,420   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,422   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,425   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,427   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,429   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,432   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,434   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,437   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,439   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,442   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,445   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,447   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,450   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,452   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,455   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,457   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,460   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,462   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,465   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,467   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,470   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,472   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,475   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,478   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,480   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,483   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,485   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,488   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,490   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,493   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,496   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,498   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,501   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,503   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,506   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,508   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,511   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,513   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,516   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,518   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,521   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,524   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,526   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,529   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,531   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,534   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,537   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,539   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,542   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,544   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,546   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,549   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,551   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,554   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,557   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,559   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,562   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,565   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,567   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,570   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,573   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,575   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,578   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,580   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,583   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,586   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,588   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,591   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,594   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,596   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,599   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:22,601   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,603   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,605   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,608   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,610   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,613   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,615   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,618   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,620   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,623   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,625   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,628   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,630   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,633   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,635   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,638   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,640   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,643   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,645   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,647   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,650   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,652   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,655   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,658   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,660   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,663   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,666   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,668   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,670   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,673   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,675   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,678   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,680   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,683   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,685   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,688   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,690   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,693   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:22,695   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,697   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,699   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,702   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,705   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,707   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,710   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,713   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,715   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,718   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,721   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,723   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,726   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,728   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,731   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,734   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,736   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,739   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,741   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:22,744   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,745   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,748   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,750   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,753   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,755   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,758   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,760   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,763   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,765   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,768   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,771   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,773   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,776   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,778   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,781   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,784   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,786   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,789   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,791   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,794   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,796   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,799   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,802   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,805   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,807   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,810   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:22,812   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,814   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,817   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,820   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,823   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,826   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,829   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,832   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,835   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,838   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,840   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,843   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,846   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,849   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,852   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,854   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,857   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,860   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,863   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,866   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,869   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,871   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,874   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,877   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,880   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,883   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,886   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,889   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,892   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,895   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,898   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,900   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,903   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,906   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,909   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,912   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,915   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,918   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,921   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,924   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,927   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,930   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,933   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,936   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:22,938   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,940   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,943   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,946   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,949   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,952   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,955   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,958   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,961   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,964   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,968   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,971   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,973   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,978   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,981   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,984   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,987   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,990   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,993   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,996   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:22,998   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,001   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,004   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,007   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,010   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,012   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,015   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,018   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,022   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,025   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,028   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,031   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,034   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,037   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,040   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,042   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,045   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,049   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,053   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,056   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,059   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,063   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,066   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,069   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,072   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,075   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,078   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,080   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,083   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,086   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,089   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,092   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,095   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,098   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,100   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,103   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,106   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,109   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,112   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,115   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,118   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,121   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,124   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,127   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,130   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,133   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,136   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,139   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,142   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,145   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,148   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,151   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,154   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,157   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,160   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,163   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,166   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,169   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,171   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,174   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,177   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,180   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,183   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,185   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,189   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,191   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,194   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,197   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,200   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,203   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,205   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,208   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,211   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,214   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,217   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,221   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,226   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,228   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,232   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,237   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,241   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,244   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,246   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,249   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,252   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,254   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,257   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,260   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,263   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,265   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,268   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,271   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,273   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,276   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,278   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,281   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,285   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,287   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,290   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,293   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,295   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,298   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,301   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,303   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,307   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,310   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,313   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,317   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,322   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,328   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,333   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,336   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,338   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,341   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,344   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,347   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,349   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,352   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,355   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,358   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,360   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,363   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,365   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,368   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,370   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,373   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,376   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,379   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,381   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,384   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,387   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,389   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,392   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:23,395   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,396   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,399   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,402   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,404   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,407   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,409   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,412   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,414   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,416   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,419   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,422   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,424   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,426   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,429   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,431   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,434   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,437   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,439   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,442   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,445   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,448   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,451   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,453   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,456   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,458   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,461   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,463   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,466   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,469   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,471   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,473   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,476   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,479   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,482   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,484   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,487   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,489   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,492   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:23,495   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,496   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,498   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,501   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,504   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,506   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,509   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,511   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,514   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,516   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,519   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,521   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,524   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,526   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,529   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,532   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,534   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,537   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,539   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,541   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,544   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,547   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,549   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,552   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,554   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,557   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,559   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,562   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,564   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,567   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,569   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,572   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,574   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,577   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,579   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,582   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,584   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,587   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,589   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,592   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,594   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,597   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,600   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,602   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,605   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,607   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,610   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,613   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,616   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,618   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,621   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,624   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,626   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,628   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,631   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,633   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,636   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,638   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,641   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,644   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,646   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,649   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,651   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,654   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,656   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,659   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,661   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,664   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,666   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,669   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,671   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,674   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,676   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,679   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,681   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,684   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,686   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,689   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,691   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,694   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,696   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,699   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,702   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,704   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,707   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,709   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,712   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,715   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,717   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,720   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,723   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,726   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,728   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,731   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,733   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,736   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,738   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,740   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,743   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,745   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,748   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,750   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,753   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,756   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,758   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,761   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,764   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,766   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,769   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,772   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,774   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,777   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,779   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,782   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,784   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,787   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,789   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,792   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,794   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,797   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,799   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,802   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,804   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,807   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,810   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,812   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,815   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,817   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,820   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,822   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,825   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,828   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,830   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,833   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,835   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,838   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,840   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,843   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,845   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,848   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,850   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,853   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,856   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,858   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,860   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,863   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,865   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,868   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,870   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,872   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,875   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,877   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,880   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,883   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,885   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,888   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,891   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,893   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,896   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,899   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,901   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,904   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,907   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,909   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,912   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,914   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,917   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,919   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,922   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,924   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,927   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,929   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,931   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,934   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,937   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,939   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,942   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,944   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,947   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,949   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,952   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,954   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,957   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,960   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,962   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,965   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,968   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,970   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,973   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,975   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,978   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,980   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,983   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,985   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,988   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,990   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,993   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,996   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:23,998   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,000   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,003   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,005   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,008   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,010   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,013   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,015   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,018   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,020   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,023   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,026   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,028   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:24,031   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,032   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,035   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,038   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,040   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,043   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,045   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,048   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,050   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,053   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,055   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,058   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,060   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,063   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,065   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,068   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,070   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,073   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,075   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,078   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,081   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,083   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,086   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,088   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,091   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,093   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,096   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,098   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,101   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,103   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,106   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,108   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,111   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:24,113   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,115   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,117   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,120   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,123   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,125   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,128   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,130   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,133   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,135   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,138   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,141   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,143   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,146   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,149   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,151   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,154   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,157   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,159   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,162   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,164   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,167   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,169   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,172   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,174   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,177   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,179   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,182   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,184   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,186   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,189   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,191   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,194   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,196   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,199   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,201   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,204   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,206   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,208   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,211   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,213   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,216   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,218   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,221   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,224   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,227   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,229   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,232   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,235   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,237   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,240   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,242   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,245   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,248   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,250   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,253   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,256   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,258   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,260   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,263   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,265   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,268   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,270   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,273   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,275   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,277   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,280   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,282   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,285   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,288   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,290   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,293   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,296   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,298   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,301   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,304   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,306   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,309   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,312   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,315   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,317   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,320   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,322   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,325   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,327   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,330   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,333   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,335   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,338   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,341   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,343   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,346   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,348   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,351   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,353   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,356   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,359   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,362   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,364   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,367   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,369   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,372   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,375   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,377   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,380   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,383   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,386   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,388   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,390   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,393   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,396   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,398   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,401   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,403   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,406   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,409   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,411   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,413   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,416   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,418   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,420   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,423   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,425   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,428   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,430   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,433   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,435   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,438   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,440   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,443   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,445   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,448   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,451   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,453   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,456   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,458   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,461   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,463   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,466   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,468   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,471   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,474   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,476   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,479   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,482   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,484   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,487   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,490   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,492   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,497   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,716   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,720   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,724   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,730   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,733   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,737   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,740   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,743   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,746   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,748   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,751   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,753   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,756   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,759   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,761   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,764   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,766   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,769   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,772   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,774   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,777   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,780   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,782   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,785   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,787   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,790   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,793   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,795   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,797   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,800   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,802   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,805   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,808   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,810   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,813   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,817   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,820   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,825   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,828   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,830   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,833   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,836   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,838   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,841   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,844   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,846   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,849   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,852   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,855   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,857   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,860   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,862   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,865   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,868   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,871   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,873   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,876   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,878   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,881   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,884   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,886   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,889   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,892   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,894   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,897   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,899   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,902   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,904   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,907   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,909   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,912   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,915   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,917   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,920   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,922   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,924   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,927   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,930   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,932   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,935   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,937   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,940   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,943   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,945   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,948   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,950   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,953   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,956   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,959   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,961   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,963   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,966   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,968   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,971   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,973   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,976   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,978   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,981   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,984   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,986   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,989   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,991   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,994   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,996   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:24,999   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,002   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,004   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,007   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,009   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,012   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,014   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,017   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,019   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,022   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,025   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,028   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,030   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,033   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,035   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,038   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,040   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,043   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,045   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,048   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,050   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,053   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,055   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,058   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,060   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,063   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,066   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,069   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,071   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,074   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,077   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,079   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,082   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,085   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,087   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,090   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,092   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,095   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,097   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,100   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,102   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,105   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,107   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,109   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,112   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,114   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,117   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,119   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,122   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,124   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,127   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,130   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,132   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,135   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,138   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,140   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,143   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,146   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,148   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,151   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,153   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,156   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,158   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,161   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,163   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,166   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,168   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,171   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,173   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,176   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,179   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,181   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,184   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,186   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,189   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,191   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,194   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,196   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,199   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,201   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,204   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,207   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,209   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,212   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,214   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,217   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,220   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,222   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,225   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,227   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,229   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,232   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,235   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,238   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,240   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,242   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,245   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,247   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,250   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,253   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,255   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,257   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,260   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,263   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,265   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,268   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,271   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,273   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,276   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,278   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,281   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,283   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,286   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,289   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,292   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,294   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,296   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,299   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,301   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,304   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,306   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,309   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,311   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,314   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,316   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,319   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,322   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,324   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,327   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,329   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,332   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,335   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,338   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,340   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,343   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,346   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,348   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,351   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,353   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,356   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,359   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,361   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,364   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,366   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,369   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,371   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,374   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,376   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,378   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,381   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,384   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,386   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,389   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,391   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,394   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,396   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,399   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,401   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,404   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,407   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,409   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,412   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,414   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,417   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,419   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,421   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,424   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,427   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,429   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,432   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,434   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,437   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,440   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,442   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,445   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,447   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,450   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,452   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,455   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,457   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,460   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,462   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,465   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,468   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,470   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,473   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,476   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,478   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,481   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,484   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,486   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,489   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,491   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,494   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,497   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,499   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,501   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,504   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,507   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,509   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,511   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,514   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,516   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,519   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,522   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,525   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,528   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,530   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,533   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,535   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,538   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,540   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,543   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,545   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,548   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,551   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,553   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,556   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,558   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,561   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,564   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,566   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,569   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,572   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,575   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,577   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,580   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,582   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,585   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,587   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:25,590   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,591   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,594   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,596   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,599   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,601   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,604   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,607   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,609   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,612   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,615   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,617   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,620   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,622   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,625   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,628   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,630   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,633   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,635   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,638   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,640   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,643   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,645   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,648   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,651   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,654   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,656   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,659   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,662   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,664   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,667   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,670   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,672   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,675   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,677   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,680   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,683   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,685   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,688   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,690   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,693   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,696   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,698   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,702   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,704   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,707   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,709   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,711   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,714   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,716   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,719   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,721   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,724   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,727   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,729   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,732   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,734   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,737   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,740   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,742   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,745   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,748   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,751   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,754   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,757   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,759   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,763   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,765   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,768   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,771   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,773   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,776   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,778   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,781   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,784   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,786   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,789   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,792   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,795   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,798   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,801   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:25,804   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,026   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,029   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,033   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,037   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,041   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,045   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,048   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,051   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,053   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,055   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,058   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,060   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,063   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,065   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,068   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,070   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,073   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,076   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,078   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,081   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,084   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,086   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,089   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,091   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,094   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,097   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,099   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,102   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,105   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,107   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,110   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,112   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,115   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,117   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,120   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,123   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,125   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,128   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,130   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,133   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,136   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,138   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,141   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,143   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,146   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,148   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,150   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,153   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,156   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,158   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,161   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,164   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,166   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,169   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,171   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,174   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,176   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,179   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,181   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,184   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,186   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,189   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,191   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,194   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,197   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,199   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,201   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,204   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,206   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,208   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,211   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,213   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,215   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,218   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,221   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,224   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,226   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,229   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,231   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,235   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,239   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,241   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,244   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,246   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,249   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,251   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,254   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,256   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,259   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,262   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,264   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,267   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,269   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,272   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,274   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,277   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,279   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,282   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,285   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,288   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,291   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,294   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,296   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,299   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,302   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,304   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,307   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,310   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,313   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,316   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,319   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,322   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,325   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,327   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,330   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,333   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,336   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,338   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,341   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,344   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,347   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,350   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,352   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,356   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,358   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,361   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,365   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,367   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,370   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,373   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,376   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,379   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,382   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,385   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,388   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,391   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,393   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,396   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,399   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,402   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,406   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,409   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,411   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,415   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,418   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,421   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,424   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,426   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,429   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,432   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,435   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,438   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,440   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,443   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:26,446   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,448   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,451   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,453   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,456   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,459   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,462   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,465   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,468   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,471   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,473   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,476   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,479   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,483   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,487   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,490   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,493   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,496   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,499   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,502   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,505   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,508   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,512   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,514   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,517   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,520   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,523   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,526   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,528   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,531   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,535   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,538   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,541   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,544   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,548   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,550   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,553   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,556   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,559   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,562   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,565   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,568   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,571   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,573   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,576   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,579   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,582   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,585   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,588   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,591   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,594   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,597   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,600   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,603   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,605   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,608   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,611   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,615   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,617   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,620   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,623   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,626   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,629   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,632   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,634   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,637   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,640   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,642   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,645   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,648   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,651   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,654   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,657   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,660   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,663   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,666   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,668   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,671   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,673   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,676   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,679   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,682   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,685   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,688   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,691   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,694   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,697   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,700   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,703   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,705   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,708   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,712   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,714   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,717   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:26,720   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,722   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,725   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,728   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,731   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,734   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,736   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,739   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,742   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,746   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,749   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,752   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,755   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,758   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,761   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,764   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,767   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,770   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,773   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,776   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,778   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,781   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:26,784   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,785   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,787   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,790   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,793   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,796   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,798   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,801   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,803   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,806   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,808   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,811   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,813   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,816   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,819   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,821   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,824   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,826   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,829   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,831   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,834   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,837   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,840   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,842   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,845   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,848   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,850   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,853   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,855   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,858   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,860   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,862   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,865   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,867   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,870   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,872   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,875   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,878   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,880   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,883   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,886   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,888   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,891   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,893   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,896   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,899   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,901   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,903   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,906   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,908   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,911   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,913   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,916   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,919   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,922   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,924   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,927   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,929   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,932   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,934   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,937   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,939   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,942   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,944   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,947   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,949   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,952   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,954   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,957   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,959   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,963   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,966   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,970   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,975   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,980   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,983   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,986   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,989   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,992   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,995   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:26,998   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,001   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,004   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,006   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,008   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,011   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,013   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,015   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,017   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,020   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,023   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:27,025   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,026   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,029   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,032   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,034   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,037   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,039   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,042   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,044   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,047   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,049   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,052   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,054   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,057   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,059   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,061   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,064   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,067   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,069   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,072   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,074   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,077   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,079   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,082   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,084   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,086   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,089   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,092   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,094   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,097   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,099   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,101   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,104   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,107   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,109   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,112   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,115   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,118   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,120   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,123   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,126   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,129   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,131   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,134   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,136   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,139   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:27,141   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,143   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,146   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,148   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,150   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,153   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,156   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,158   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,161   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,164   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,167   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,170   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,172   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:27,175   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,177   copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,179   copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,182   copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,185   copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,187   copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,190   copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,193   copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,195   copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,198   copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,201   copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,204   copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,207   copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,209   copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,212   copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,215   copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,217   copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,220   copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,223   copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,226   copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,229   copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,233   copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,236   copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,239   copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,243   copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,245   copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,248   copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,251   copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,254   copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,257   copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,259   copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,262   copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,265   copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,268   copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,271   copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,273   copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,276   copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,279   copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,281   copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,284   copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,287   copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,289   copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,292   copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,294   copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,297   copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,299   copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,302   copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,304   copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,307   copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,309   copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,312   copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,314   copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,317   copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,319   copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,322   copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,325   copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,327   copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,330   copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,333   copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,335   copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,338   copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,340   copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,343   copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,346   copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,348   copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,351   copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,353   copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,356   copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,359   copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,361   copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,364   copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,367   copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:27,369   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,370   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,373   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,375   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,378   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,380   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,383   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,386   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,388   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,391   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,393   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,396   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,398   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,400   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,403   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,405   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,408   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,410   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,413   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,416   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,418   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,421   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,423   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,426   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,428   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,431   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,433   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,436   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,438   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,441   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,443   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,446   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,448   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,450   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,453   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,455   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,458   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,460   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,463   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,465   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,468   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,470   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,473   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,475   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,478   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,480   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,483   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,486   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,488   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,491   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,493   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,496   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,498   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,501   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,504   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,507   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,509   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,512   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,514   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,517   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,519   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:27,522   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,523   copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,526   copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,528   copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,531   copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,533   copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,535   copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,538   copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,540   copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,542   copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,545   copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,548   copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,550   copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,553   copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,555   copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,558   copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,560   copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,563   copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,566   copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,569   copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,571   copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,574   copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,576   copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,579   copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,581   copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,584   copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,586   copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,588   copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,591   copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,593   copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,596   copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,598   copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,601   copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,603   copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,606   copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,608   copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:27,611   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,612   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,615   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,617   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,620   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,622   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,625   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,627   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,630   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,632   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,635   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,637   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,640   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,643   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,646   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,648   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,651   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,653   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,656   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,659   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,662   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,664   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,666   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,669   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,671   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,674   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,676   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,678   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,681   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,683   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,685   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,688   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,690   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,693   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,695   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,698   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,700   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,703   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,706   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,708   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,711   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:27,713   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,715   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,717   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,720   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,723   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,725   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,728   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,731   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,733   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,736   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,738   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,741   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,744   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,746   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,749   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,751   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,754   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:27,756   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,758   copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,760   copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,763   copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,765   copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,767   copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,770   copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,772   copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,775   copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,777   copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,780   copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,783   copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,785   copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,788   copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,790   copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,793   copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,796   copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,798   copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,801   copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,804   copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,806   copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,809   copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,811   copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,814   copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:27,816   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,818   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,820   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,823   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,826   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,828   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,830   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,833   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,836   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,838   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,841   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,846   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,848   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,851   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,853   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,856   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,858   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,861   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,863   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,866   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,868   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,871   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,874   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,876   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,878   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,881   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,883   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,886   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,889   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,891   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,893   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,896   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,898   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,901   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,904   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,906   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,909   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,911   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,914   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,917   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,919   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,922   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,925   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,927   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,930   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,932   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,935   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,938   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,940   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,943   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,945   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,948   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,950   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,953   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,955   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,958   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,960   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,963   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,966   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,969   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,972   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,974   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,977   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,980   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,982   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,985   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,987   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:27,990   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:27,991   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:27,994   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:27,997   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:27,999   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,002   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,004   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,007   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,009   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,012   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,014   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,017   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,019   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,021   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,024   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,026   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,028   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,031   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,034   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,036   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,039   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,041   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,044   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,047   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,049   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,052   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,055   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,057   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,059   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,062   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,064   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,067   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,069   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,072   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,074   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,077   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,080   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,082   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,085   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,087   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,090   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,092   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:28,094   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,096   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,098   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,101   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,104   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,106   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,109   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,111   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,114   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,117   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,119   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,122   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,125   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,128   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,130   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,133   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,136   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,138   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,141   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,144   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,147   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,149   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,152   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,155   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,157   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,160   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,162   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,164   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,167   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,169   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,172   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,174   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,177   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,179   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,182   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,184   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,187   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,190   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,192   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,195   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:28,198   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,199   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,202   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,205   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,207   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,210   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,212   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,215   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,218   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,220   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,223   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,226   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,228   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,231   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,233   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,236   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,239   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,241   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,244   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,247   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,249   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,252   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,254   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,257   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,259   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,262   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,265   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,267   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,270   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,272   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,275   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,278   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,281   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,283   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,286   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,289   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,291   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,294   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,296   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,299   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,302   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,304   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,307   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,310   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,312   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,315   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:28,317   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,319   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,321   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,324   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,327   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,329   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,332   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,334   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,337   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,339   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,342   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,345   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,347   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,350   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,352   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,355   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,358   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,360   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,363   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,365   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,368   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,371   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,373   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,376   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,378   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,381   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,384   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,386   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,389   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,392   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,394   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,397   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,400   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,402   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,405   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,408   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,410   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,413   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,415   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,418   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,421   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,423   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,426   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,428   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,431   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,434   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,436   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,439   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,441   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,444   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,447   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,449   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,452   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,454   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,457   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,459   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,462   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,465   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,467   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,470   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,472   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,475   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,477   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,480   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,483   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,486   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,488   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,491   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,493   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,496   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,498   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,501   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,503   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,506   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,508   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,511   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,514   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,516   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,519   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,522   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,525   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,527   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,529   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,532   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,535   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,537   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,540   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,542   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,545   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,548   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,550   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:28,553   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,554   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,557   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,560   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,562   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,565   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,567   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,570   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,572   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,575   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,577   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,580   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,582   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,585   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,588   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,591   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,593   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,596   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,598   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,601   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,604   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,607   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,610   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,612   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,615   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,618   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,620   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,623   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,625   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,628   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,630   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,633   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,635   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,638   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,641   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,643   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,646   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,649   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,651   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,654   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,657   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,659   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,662   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,665   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,667   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,670   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,673   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,675   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,678   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:28,680   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,682   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,685   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,687   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,689   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,692   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,694   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,697   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,699   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,702   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,704   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,707   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,710   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,712   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,715   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,717   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,720   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,723   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,725   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,728   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,731   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,734   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,736   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,739   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,741   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,744   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,747   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,749   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,752   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,754   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,757   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,760   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,762   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,765   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,767   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,770   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,772   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,775   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,778   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,780   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,783   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,785   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,788   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,791   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,793   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,796   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,798   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,801   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,804   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,806   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,809   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,811   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,814   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,816   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,819   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,822   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,824   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,827   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,830   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,832   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,835   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,838   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,840   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,843   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,845   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,848   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,851   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,853   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,856   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,858   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,861   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,864   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,866   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,869   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,871   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,874   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,877   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,879   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,882   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,884   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,887   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,890   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,892   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,895   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,897   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,900   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,903   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,906   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,908   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,913   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,916   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,919   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,922   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,927   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,930   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,933   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,936   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,938   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,941   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,943   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,946   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,948   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,951   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,953   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,956   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,959   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,961   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,967   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,969   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,972   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,975   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,977   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,980   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,983   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,986   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,988   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,991   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,993   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,996   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:28,999   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,002   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,004   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,007   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,009   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,012   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,014   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,017   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,019   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,022   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,025   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,027   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,030   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,033   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,035   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,038   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,041   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,044   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,046   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,049   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,052   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,055   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,057   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,060   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,063   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,066   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,068   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,071   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,074   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,076   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,079   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,081   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,084   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,087   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,089   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,092   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,094   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,097   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,100   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,102   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,105   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,107   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,111   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,114   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,117   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,121   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,124   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,127   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,129   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,132   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,135   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,138   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,141   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,143   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,146   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,149   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,151   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,154   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,157   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,159   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,162   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,164   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,167   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,170   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,172   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,175   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,177   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,180   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,183   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,186   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,189   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,191   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,194   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,197   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,199   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,202   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,205   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,207   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,210   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,213   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,215   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,218   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,220   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,223   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,226   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,228   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,231   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,234   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,236   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,239   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,242   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,245   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,247   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,250   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,252   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,255   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,258   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,260   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,263   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,266   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,269   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,271   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,273   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,276   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,279   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,281   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,284   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,287   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,289   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,292   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,294   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,297   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,300   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,302   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,305   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,308   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,310   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,313   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,315   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,318   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,321   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,323   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,326   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,329   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,332   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,335   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,338   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,340   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,343   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,346   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,348   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,351   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,353   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,356   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,358   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,361   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,364   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,367   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,369   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,372   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,374   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,377   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,380   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,382   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,385   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,387   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,390   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,392   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,395   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,398   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,400   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,403   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,405   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,408   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,410   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,413   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,414   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,417   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,419   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,422   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,424   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,427   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,430   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,432   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,435   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,438   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,440   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,443   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,446   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,449   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,452   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,454   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,457   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,459   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,462   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,464   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,467   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,469   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,472   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,474   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,477   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,480   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,482   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,485   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,488   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,492   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,495   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,498   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,501   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:29,504   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,506   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,509   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,512   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,515   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,517   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,520   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,523   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,526   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,529   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,532   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,535   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,538   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,541   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,544   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,547   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,550   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,554   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,558   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,560   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,563   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,567   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,570   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,573   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,576   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,579   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,582   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,586   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,589   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,591   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,594   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,597   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,600   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,603   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,606   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,609   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,611   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,613   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,617   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,620   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,622   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,624   copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,627   copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,630   copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,632   copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,635   copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,639   copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,644   copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,649   copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,653   copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,658   copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,663   copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,666   copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,668   copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,671   copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,674   copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,677   copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,680   copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,683   copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,685   copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,688   copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,691   copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,694   copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,697   copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,699   copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,702   copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,705   copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:29,708   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,710   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,713   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,716   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,718   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,722   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,727   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,732   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,735   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,738   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,740   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,743   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,746   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,749   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,751   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,755   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,757   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,760   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,763   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,765   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,768   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,771   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,773   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,776   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,779   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,782   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,784   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,787   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,790   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,792   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,796   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,801   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,806   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,811   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,817   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,822   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,826   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,829   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,832   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,835   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,838   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,841   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,844   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,847   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,849   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,852   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,854   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,857   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,860   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,862   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,866   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,868   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,871   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,875   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:29,880   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,106   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,109   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,113   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,117   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,121   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,125   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,128   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,130   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,133   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,136   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,138   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,141   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,143   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,146   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,150   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,153   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,156   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,158   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,161   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,164   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,167   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,169   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,172   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,175   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,178   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,181   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,184   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,187   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,190   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,192   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,195   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,197   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,200   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,203   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,205   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,208   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,211   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,213   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,216   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,218   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,221   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,224   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,227   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,229   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,232   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,235   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,237   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,240   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,243   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,246   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,249   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,251   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,254   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,257   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,260   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,262   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,265   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,267   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,270   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,272   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,275   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,278   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,280   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,283   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,285   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,288   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,291   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,293   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,296   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,298   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,301   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,304   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,306   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,309   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,312   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,314   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,317   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,320   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,322   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,325   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,328   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,330   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,333   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,335   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,338   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,341   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,343   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,346   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,348   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,351   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,354   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,356   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,359   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,361   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,364   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,367   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,370   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,372   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,375   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,377   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,380   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,383   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,385   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,388   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,391   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,394   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,396   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,399   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,401   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,404   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,406   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,409   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,411   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,414   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,417   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,419   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,422   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,424   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,427   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,430   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,432   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,435   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,438   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,441   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,443   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,446   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,448   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,451   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,454   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,456   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,459   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,462   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,465   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,467   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,470   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,473   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,475   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,478   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,481   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,483   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,486   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,488   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,491   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,494   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,496   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,499   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,501   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,504   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,507   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,509   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,512   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,515   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,517   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,520   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,523   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,526   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,529   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,531   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,534   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,537   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,539   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,542   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,545   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,547   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,550   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,553   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,555   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,558   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,561   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,563   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,566   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,569   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,572   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,574   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,577   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,580   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,582   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,585   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,588   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,590   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,593   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,596   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,598   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,601   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,604   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,607   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,609   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,612   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,615   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,617   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,620   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,622   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,625   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,627   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,630   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,633   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,635   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,638   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,641   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,644   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,646   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,649   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,652   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,654   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,657   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,660   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,662   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,665   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,668   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,670   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,673   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,676   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,678   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,681   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,684   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,687   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,689   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,692   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,695   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,697   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,700   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,702   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,705   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,708   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,711   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,713   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,716   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,719   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,722   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,724   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,727   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,730   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,733   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,735   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,738   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,741   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,744   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,746   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,749   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,751   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,754   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,756   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,759   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,761   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,764   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,766   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,769   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,772   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,774   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,777   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,780   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,783   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,786   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,788   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,791   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,794   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,796   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,799   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,802   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,805   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,808   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,810   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,813   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,816   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,818   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,821   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,824   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,826   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,829   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,831   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,834   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,837   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,839   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,842   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,845   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,847   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,850   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,852   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,855   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,858   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,860   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,863   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,865   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,868   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,870   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,873   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,876   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,878   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,881   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,883   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,886   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,889   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,891   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,894   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,896   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,899   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,902   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,905   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,907   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,910   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,912   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,915   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,918   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,921   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,924   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,926   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,929   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,931   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,934   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,937   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,940   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,942   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,945   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,948   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,951   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,954   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,957   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,959   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,962   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,964   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,967   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,970   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,972   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,975   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,978   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,981   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,984   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,987   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,989   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,992   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,995   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:30,998   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,000   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,003   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,006   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,008   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,011   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,014   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,017   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,020   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,023   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,026   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,029   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,031   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,034   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,037   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,040   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,042   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,045   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,048   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,050   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,053   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,055   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,058   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,061   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,064   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,067   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,069   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,072   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,075   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,078   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,080   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,083   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,086   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,088   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,091   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,094   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,097   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,099   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,102   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,104   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,107   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,109   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,112   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,114   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,117   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,120   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,122   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,125   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,128   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,131   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,134   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,136   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,139   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,142   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,144   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,147   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,150   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,152   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,155   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,158   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,160   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,163   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,166   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,168   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,171   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,173   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,176   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,179   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,181   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,184   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,187   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,189   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,192   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,195   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,198   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,200   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,203   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,206   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,208   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,211   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,214   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,220   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,224   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,227   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,230   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,233   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,235   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,238   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,241   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,244   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,247   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,250   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,252   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,255   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,258   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,260   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,263   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,266   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,268   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,271   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,273   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,276   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,278   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,281   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,284   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,286   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,289   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,292   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,295   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,297   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,300   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,303   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,306   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,308   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,311   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,314   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,316   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,319   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,321   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,324   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,326   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,328   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,331   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,333   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,336   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,338   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,341   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,343   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,346   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,348   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,351   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,353   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,356   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,359   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,361   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,362   copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,365   copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,368   copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,370   copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,373   copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,376   copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,379   copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,381   copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:31,383   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,385   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,387   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,390   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,392   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,395   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,397   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,400   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,402   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,405   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,407   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,410   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,412   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,415   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,417   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,420   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,423   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,425   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,428   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,431   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,434   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,436   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,439   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,441   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,444   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,447   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,449   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,452   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,454   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,457   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,459   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,462   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,464   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,467   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,469   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,472   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,474   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:31,477   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,478   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,481   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,484   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,486   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,489   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,491   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,493   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,496   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,498   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,501   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,503   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,506   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,508   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,511   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,514   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,516   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,519   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,521   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,524   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,526   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,529   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,531   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,534   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,536   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,538   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,541   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,543   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,546   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,549   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,551   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,554   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,556   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,559   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,561   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,564   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,566   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,569   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,571   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,574   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,577   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,579   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,582   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,585   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,587   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,590   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,592   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,595   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,597   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,600   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,602   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,605   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,607   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,610   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,612   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,615   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,617   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,620   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,622   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,625   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,627   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:31,630   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,631   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,634   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,637   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,641   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,644   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,646   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,649   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,651   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,654   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,657   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,659   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,662   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,664   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,667   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,669   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,672   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,674   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,678   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,680   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,683   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,686   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,688   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,691   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,693   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,696   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,698   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,701   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,704   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,706   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,708   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,711   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,714   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,716   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,719   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,721   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,724   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,727   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,729   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,732   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,734   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:31,737   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,738   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,741   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,743   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,745   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,748   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,750   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,753   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,756   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,758   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,760   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,763   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,766   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,768   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,771   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,774   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,776   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,779   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,781   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,784   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,787   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,789   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,792   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,794   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,797   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,800   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,802   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,805   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,808   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,810   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,813   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,815   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,818   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,820   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,823   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,825   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,828   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,830   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,833   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,836   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,838   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,841   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,844   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,846   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,849   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,851   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,854   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,857   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,859   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,862   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,865   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,867   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,870   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,872   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,875   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,878   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,881   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,883   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,886   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,889   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,891   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,894   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,897   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,899   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,902   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,905   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,907   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,910   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,913   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,915   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,918   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,921   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:31,923   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,928   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,930   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,933   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,936   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,939   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,941   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,944   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,947   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,949   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,952   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,955   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,957   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,960   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,962   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,966   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,968   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,971   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,973   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,976   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,981   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,984   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,986   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,989   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,992   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,994   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,997   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,000   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,003   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,006   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,008   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,011   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,014   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,016   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,019   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,022   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,025   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,027   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,030   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,032   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,035   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,037   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,040   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,042   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,045   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,048   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,051   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,053   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,056   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,059   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,062   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,065   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,068   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,071   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,073   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,076   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,079   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,082   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,085   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,088   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,091   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,094   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,097   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,100   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,103   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,105   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,108   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,111   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,114   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,117   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,120   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,123   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,126   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,129   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,132   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,135   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,137   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,140   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,143   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,146   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,148   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,151   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,154   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,157   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,160   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,163   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,166   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,168   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,171   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,174   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,177   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,180   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,182   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,185   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,188   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,191   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,194   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,198   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,204   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,211   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,218   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,224   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,230   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,233   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,236   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,239   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,242   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,245   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,248   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,251   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,255   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,257   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,260   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,262   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,265   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,268   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,270   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,273   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,276   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,278   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,281   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,283   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,286   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,288   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,291   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,294   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,296   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,299   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,302   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,305   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,307   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,310   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,312   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,315   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,318   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,320   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,323   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,326   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,328   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,331   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,333   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,336   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,338   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,341   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,344   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,346   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,349   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,351   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,354   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,357   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,359   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,362   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,364   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,367   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,369   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,372   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,375   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,377   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,380   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,383   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,386   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,388   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,391   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,394   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,396   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,399   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,401   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,404   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,406   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,409   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,411   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,414   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,416   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,419   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,422   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,424   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,427   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,430   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,432   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,435   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,438   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,440   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,443   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,446   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,448   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,451   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,454   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,456   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,459   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,461   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,464   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,466   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,469   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,471   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,474   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,476   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,479   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,481   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,484   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,487   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,489   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,492   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,495   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,497   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,500   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,503   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,505   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,508   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,511   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,513   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,516   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,519   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,521   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,524   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,527   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,530   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,532   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,535   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,537   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,540   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,542   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,545   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,547   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,550   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,553   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,556   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,558   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,561   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,563   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,566   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,569   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,571   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,574   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,577   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,579   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,582   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,585   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,587   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,590   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,592   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,595   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,597   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,600   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,602   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,605   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,608   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,610   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,613   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,615   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,618   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,621   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,624   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,626   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,629   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,631   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,634   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,637   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,639   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,642   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,645   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,648   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,650   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,653   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,655   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,658   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,661   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,663   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,666   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,669   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,671   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,674   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,676   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,679   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,682   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,684   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,687   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,690   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,692   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,695   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,698   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,701   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,703   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,706   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,709   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,712   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,715   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,718   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,720   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,723   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,726   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,728   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,731   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,734   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,737   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,739   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,742   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,745   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,747   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,750   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,752   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,755   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,758   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,761   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,763   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,766   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,769   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,771   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,774   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,777   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,780   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,782   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,785   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,788   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,790   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,793   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,796   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,798   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,801   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,804   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,806   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,809   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,811   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,814   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,817   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,819   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,822   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,825   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,828   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,830   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,833   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,836   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,838   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,841   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,843   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,846   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,849   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,852   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,854   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,857   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,860   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,862   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,865   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,868   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,870   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,873   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,875   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,878   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,881   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,883   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,886   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,889   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,892   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,895   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,897   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,900   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,903   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,906   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,908   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,914   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,916   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,919   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,922   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,927   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,930   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,932   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,935   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,938   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,941   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,943   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,946   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,949   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,951   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,954   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,956   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,959   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,962   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,967   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,969   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,972   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,975   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,980   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,983   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,986   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,989   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,991   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,994   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,997   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:32,999   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,002   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,005   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,007   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,010   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,013   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,015   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,018   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,020   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,023   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,025   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,028   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,031   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,033   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,036   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,039   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,041   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,044   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,047   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,049   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,052   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,055   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:33,058   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,059   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,062   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,064   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,067   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,069   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,072   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,074   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,077   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,079   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,082   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,084   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,087   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,089   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,092   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,094   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,097   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,100   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,103   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,105   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,108   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,111   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,113   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,116   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,119   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,121   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,124   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,127   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,129   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,132   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,134   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,137   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,139   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,142   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,144   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,147   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,149   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,152   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,154   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,157   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,159   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,161   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,164   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,167   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,169   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,172   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,174   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,177   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,180   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,182   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,185   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,187   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,190   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,193   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,195   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,198   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,201   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,203   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,206   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,208   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,211   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,213   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,216   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,218   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,221   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,224   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,226   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,229   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,231   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,234   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,236   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,239   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,241   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,244   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,247   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,249   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,252   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,254   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,257   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,260   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,262   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,265   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,267   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,270   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,272   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,275   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,278   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,280   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,282   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,285   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,287   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,290   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,292   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,295   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,297   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,300   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,302   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,305   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,308   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,310   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,313   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,315   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,318   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,320   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,326   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,328   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,331   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,334   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,336   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,339   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,342   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,345   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,347   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,350   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,352   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,355   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,358   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,361   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,363   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,366   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,369   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,371   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,374   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,376   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,379   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,381   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,384   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,387   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,389   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,392   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,395   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,397   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,400   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,403   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,405   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,408   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,411   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,413   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,416   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,419   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,421   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,424   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,427   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,429   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,432   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,434   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,437   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,440   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,442   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,445   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,447   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,449   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,452   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,455   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,457   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,460   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,463   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,465   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,468   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,471   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,473   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,476   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,479   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,481   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,484   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,487   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,489   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,492   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,495   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,497   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,500   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,502   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,506   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,509   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,511   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,514   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,516   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,520   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,523   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,526   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,530   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,536   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,542   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,548   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,555   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,558   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,561   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,565   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,568   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,571   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,573   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,576   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,579   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,582   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,584   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,587   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,590   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,592   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,595   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,597   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,600   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,603   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,605   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,607   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,610   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,612   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,615   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,618   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,620   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,623   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,625   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,628   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,630   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,633   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,635   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,638   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,641   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,643   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,646   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,648   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,651   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,654   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,657   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,659   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,662   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,664   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,667   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,670   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,672   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,676   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,678   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,681   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,684   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,686   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,689   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,691   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,694   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,704   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,707   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,709   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,712   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,716   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,720   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,725   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,728   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,731   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,733   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,736   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,739   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,741   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,744   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,746   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,749   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,751   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,754   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,757   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,759   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,762   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,764   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,767   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,769   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,772   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,774   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,777   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,779   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,781   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,784   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,786   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,789   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,792   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,794   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,797   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,800   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,802   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,805   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,807   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,810   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,812   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,815   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,817   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,820   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,823   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,825   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,828   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,831   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,833   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,836   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,839   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,841   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,844   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,846   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,849   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,851   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,854   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,857   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,859   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,862   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,864   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,867   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,870   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,872   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,875   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,877   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,880   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,883   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,885   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,888   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,891   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,893   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,896   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,898   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,901   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,904   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,906   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,909   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,912   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,914   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,917   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,920   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,923   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,925   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,928   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,930   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,933   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,935   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,938   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,940   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,943   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,945   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,948   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,950   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,953   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,956   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,958   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,961   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,964   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,966   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,969   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,971   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,974   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,977   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,980   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,982   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,985   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,988   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,990   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,993   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,995   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:33,998   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,000   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,003   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,005   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,008   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,011   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,013   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,016   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,018   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,021   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,024   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,026   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,029   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,031   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,034   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,037   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,040   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,042   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,045   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,048   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,050   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,053   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,055   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,058   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,061   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,064   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,066   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,069   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,072   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,074   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,077   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,079   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,082   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,084   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,087   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,090   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,092   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,095   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,097   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,100   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,103   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,105   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,108   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,111   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,114   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,116   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,119   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,121   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,124   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,127   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,129   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,132   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,135   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,137   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,140   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,143   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,145   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,148   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,151   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,153   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,156   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,158   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,161   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,163   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,166   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,168   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,171   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,174   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,177   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,179   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,182   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,185   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,187   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,190   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,193   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,195   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,198   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,200   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,203   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,206   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,208   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,211   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,214   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,217   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,219   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,222   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,225   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,227   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,230   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,232   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,235   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,238   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,240   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,243   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,246   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,248   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,251   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,254   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,256   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,259   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,261   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,264   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,267   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,269   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,272   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,275   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,277   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,280   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,282   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,285   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,287   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,290   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,293   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,295   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,298   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,300   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,303   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,306   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,308   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,311   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,314   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,317   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,320   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,325   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,328   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,331   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,333   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,336   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,339   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,341   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,344   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,347   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,349   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,352   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,355   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,357   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,360   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,362   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,365   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,368   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,370   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,373   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,376   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,378   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,380   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,383   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,386   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,388   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,390   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,393   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,395   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,398   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,400   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,403   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,406   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,408   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,411   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,414   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,417   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,420   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,422   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,425   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,428   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,430   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,433   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,436   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,439   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,441   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,444   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,446   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,449   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,451   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,454   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,457   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,459   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,463   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,466   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,469   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,471   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,474   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,477   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,479   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,481   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,484   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,487   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,490   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,492   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,495   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,497   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,500   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,503   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,506   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,509   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,512   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,515   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,518   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,521   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,524   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,527   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,529   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,532   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,534   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,537   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,540   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,542   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,545   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,547   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,549   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,552   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,554   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,557   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,559   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,562   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,564   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,566   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,569   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,571   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,574   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,577   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,579   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,581   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,584   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,586   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,589   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:34,591   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,593   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,596   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,598   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,601   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,603   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,606   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,608   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,611   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,613   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,616   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,618   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,621   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,624   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,627   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,629   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,632   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,635   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,637   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,640   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,643   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,645   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,648   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,650   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,653   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,655   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,658   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,661   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,663   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,666   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,668   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,671   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:34,673   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,674   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,677   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,680   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,683   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,685   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,688   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,691   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,693   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,696   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,698   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,701   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,704   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,706   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,709   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,712   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,714   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:34,717   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,718   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,721   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,725   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,727   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,730   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,733   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,736   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,738   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,741   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,743   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,746   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,749   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,751   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,754   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,757   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,760   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,762   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,765   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,768   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,771   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,774   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,777   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,780   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,782   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,786   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,788   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,791   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,794   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,797   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,800   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,802   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,805   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,808   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,811   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,814   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,816   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,819   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,822   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,825   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,828   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,830   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,833   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,836   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,839   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,841   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,844   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,847   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,850   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,853   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,855   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,858   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,861   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,864   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,867   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,870   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,873   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,875   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,878   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,881   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,884   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,888   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,893   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,897   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,903   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,908   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:34,911   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,913   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,916   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,921   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,924   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,927   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,930   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,933   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,936   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,939   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,942   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,945   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,948   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,951   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,953   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,956   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,959   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,962   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,964   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:34,967   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,968   copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,971   copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,974   copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,976   copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,979   copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,981   copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,984   copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,987   copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,989   copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,992   copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,994   copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,997   copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:34,999   copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,002   copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,005   copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,008   copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,010   copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,013   copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:35,016   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,017   copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,020   copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,023   copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,025   copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,028   copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,031   copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,034   copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,036   copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,039   copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,042   copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,045   copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,048   copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,050   copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,053   copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,055   copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,058   copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,060   copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,064   copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,066   copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,069   copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,071   copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:35,074   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,075   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,078   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,080   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,083   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,086   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,088   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,091   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,093   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,096   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,099   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,101   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,104   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,107   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,110   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,112   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,115   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,118   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,120   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,123   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,125   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,128   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,130   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,133   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,135   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,138   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,140   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,143   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,146   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,148   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,151   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,154   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,156   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,159   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,162   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,164   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,167   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,169   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,172   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,175   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,177   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,180   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,183   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,185   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,188   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,191   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:35,193   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,195   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,198   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,200   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,203   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,206   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,209   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,211   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,214   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,216   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,219   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,221   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,224   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,226   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,229   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,232   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,234   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,237   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,239   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,242   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,244   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,247   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,250   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,252   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,255   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,257   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,260   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,263   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,265   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,268   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,270   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,273   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,275   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,278   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,280   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,283   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,285   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,288   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,290   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,293   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,295   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,298   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,301   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,303   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,306   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,309   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,311   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,314   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,316   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:35,318   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,320   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,323   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,325   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,328   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,330   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,333   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,335   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,338   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,341   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,343   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,346   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,348   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,352   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,355   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,357   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,360   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,362   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,365   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,367   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,370   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,372   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:35,375   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,376   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,379   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,382   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,384   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,387   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,389   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,392   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,395   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,398   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,401   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,404   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,406   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,409   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,412   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,414   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,417   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,419   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,422   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,424   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,427   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,429   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,432   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,435   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,438   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,441   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,444   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,447   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,450   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,452   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,455   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,457   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,460   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,462   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,465   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,467   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,470   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,472   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,475   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,478   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,481   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,483   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,486   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,706   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,711   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:35,715   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,717   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,721   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,725   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,728   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,730   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,733   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,735   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,738   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,740   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,743   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,745   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,748   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,750   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,753   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,756   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,758   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,761   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,764   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,766   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,769   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,772   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,774   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,777   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,780   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,783   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,788   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,792   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,797   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,800   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,806   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,810   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,814   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,817   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,820   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,823   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,826   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,829   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,832   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,836   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,840   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,843   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,845   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,848   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,851   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,854   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,857   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,860   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,863   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,866   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,869   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,871   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,874   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,878   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,881   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,884   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,887   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,890   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,892   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,895   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,898   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,901   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,904   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,906   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,909   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,912   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,915   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,917   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,920   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,923   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,925   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,928   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,931   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,934   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,936   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,939   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,942   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,944   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,947   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,950   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,953   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,955   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,958   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,960   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,963   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,965   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,968   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,970   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,973   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,975   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,978   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,980   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,983   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,986   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,988   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,991   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,993   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,996   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:35,999   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,002   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,004   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,007   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,009   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,012   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,015   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,017   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,020   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,023   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,025   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,028   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,030   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,033   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,036   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,038   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,041   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,043   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,046   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,048   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,051   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,054   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,056   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,059   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,061   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,064   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,066   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,069   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,072   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,075   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,077   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,080   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,082   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,085   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,088   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,091   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,093   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,096   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,099   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,102   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,105   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,107   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,110   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,113   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,115   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,118   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,120   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,123   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,125   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,128   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,131   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,133   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,136   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,139   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,141   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,144   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,146   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,149   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,151   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,154   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,157   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,159   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,162   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,165   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,168   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,171   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,173   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,176   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,178   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,181   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,184   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,186   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,189   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,191   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,194   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,196   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,199   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,201   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,204   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,207   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,209   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,212   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,214   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,217   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,220   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,222   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,225   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,228   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,230   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,233   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,236   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,239   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,241   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,244   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,247   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,249   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,252   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,255   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,257   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,260   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,262   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,265   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,267   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,270   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,272   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,275   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,277   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:36,280   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,281   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,284   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,287   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,289   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,292   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,295   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,297   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,300   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,302   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,305   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,308   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,310   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,313   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,316   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,318   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,320   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,323   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,325   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,328   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,330   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,333   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,335   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,338   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,340   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,343   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,346   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,348   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,351   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,354   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,357   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,359   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,362   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,365   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,367   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,370   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,373   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,376   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,378   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,381   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,383   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,386   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,388   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,391   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,394   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,396   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,399   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,401   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,404   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,407   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,409   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,412   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,414   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:36,417   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,418   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,421   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,424   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,427   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,429   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,432   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,434   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,437   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,440   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,442   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,445   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,448   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,450   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,453   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,455   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,457   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,460   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,463   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,465   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,468   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,471   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,473   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,476   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:36,478   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,480   copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,483   copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,485   copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,488   copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,490   copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,493   copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,496   copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,498   copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,501   copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,504   copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,506   copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,509   copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,512   copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,515   copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,518   copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,521   copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,523   copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,526   copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,528   copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,531   copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,533   copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,536   copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,538   copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,541   copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,543   copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,546   copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:36,549   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,550   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,553   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,555   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,558   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,561   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,563   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,566   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,569   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,571   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,574   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,577   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,579   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,582   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,585   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,588   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,590   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,593   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,596   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,599   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,601   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,604   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,607   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,609   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,612   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,615   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,618   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,620   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,623   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,626   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,628   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,631   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,634   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,636   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,639   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,643   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,646   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,649   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,651   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,654   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,657   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,659   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,662   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,665   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,668   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,670   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,673   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,675   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,678   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,681   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,684   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,687   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,690   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,693   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,695   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,698   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,701   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,704   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,707   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,710   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,713   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,716   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,718   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,721   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,724   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,727   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,729   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,732   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,735   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,737   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,740   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,743   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,745   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,748   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,750   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,753   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,755   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,758   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,761   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,764   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,766   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,769   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,771   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,774   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,777   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,779   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,782   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,785   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,787   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,790   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,792   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,795   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,798   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,800   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,803   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,806   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,809   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,811   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,814   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,816   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,819   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,822   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,824   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,827   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,830   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,832   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,835   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,837   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,840   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,843   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,845   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,848   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,850   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,853   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,856   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,859   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,861   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,864   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,866   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,869   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,872   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,875   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,876   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,879   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,882   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,884   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,887   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:36,889   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,890   copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,893   copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,896   copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,898   copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,901   copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,903   copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,906   copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,909   copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,911   copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,914   copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,917   copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,919   copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,922   copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,924   copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:36,927   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,928   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,931   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,934   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,936   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,939   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,942   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,944   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,947   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,950   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,952   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,955   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,958   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,960   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,963   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,965   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,968   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,970   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,972   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,975   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,977   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,980   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,982   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,985   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,987   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,990   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,992   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,995   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:36,997   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,000   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,002   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,005   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,007   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,010   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,013   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,015   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,017   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,020   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,022   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,025   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,027   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,030   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,032   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,035   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,037   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,040   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,043   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,045   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,048   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,050   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,053   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,055   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,058   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,060   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,063   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,065   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,068   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,071   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,073   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,076   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,079   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,081   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,084   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,086   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,088   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,091   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,093   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,096   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,098   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,100   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,103   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,106   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,108   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,111   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,114   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,116   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,119   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,121   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,124   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,127   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,129   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,132   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,134   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,137   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,140   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,142   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,145   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,148   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,150   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,152   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,155   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,158   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,160   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,163   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,165   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,168   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,170   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,173   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,175   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,178   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,180   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,183   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,185   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,188   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,190   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,193   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,196   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,198   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,201   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,203   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,206   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,209   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,211   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,214   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,217   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,219   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,222   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,224   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,227   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,229   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,232   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,235   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,237   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,240   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,242   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,245   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,248   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,250   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,253   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,255   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,258   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,261   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,263   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,266   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,269   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,271   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,274   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,276   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,278   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,281   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,283   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,286   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,288   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,291   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,294   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,296   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,299   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,301   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,304   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,307   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,309   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,312   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,314   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,317   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,320   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,322   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,325   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,327   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,330   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,333   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,335   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,338   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,340   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,343   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,345   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,348   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,350   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,353   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,355   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,358   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,360   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,363   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,366   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,368   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,370   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,373   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,376   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,378   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,381   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,383   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,386   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,388   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,391   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,393   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,396   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,398   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,401   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,404   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,406   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,409   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,411   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,414   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,416   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,418   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,421   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,423   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,426   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,428   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,430   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,433   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,435   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,438   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,440   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,443   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,445   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,448   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,450   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,453   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,456   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,458   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,461   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,463   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,466   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,469   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,471   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,474   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,476   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,479   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,482   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,484   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,487   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,489   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,492   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,494   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,497   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,499   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,502   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,504   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,507   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,509   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,512   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,514   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,517   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,520   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,523   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,525   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,528   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,531   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,533   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,536   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,538   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,541   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,544   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,546   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,549   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,551   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,554   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,556   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,559   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,776   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,780   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,784   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,788   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,791   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,795   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,798   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,801   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,805   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,807   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,810   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,813   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,815   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,818   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,821   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,824   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,826   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,829   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,831   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,834   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,837   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,840   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,842   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,846   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,849   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,851   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,854   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,857   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,860   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,866   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,872   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,880   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,886   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,890   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,894   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,897   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,900   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,903   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,906   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,909   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,912   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,914   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,917   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,919   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,922   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,925   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:37,927   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,929   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,932   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,934   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,937   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,940   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,942   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,945   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,948   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,952   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,957   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,961   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,964   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,967   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,970   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,972   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,975   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,978   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,981   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,984   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,988   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,991   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,993   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,996   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:37,998   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,001   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,004   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,006   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,009   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,011   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,014   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,017   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,020   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,023   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,025   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,028   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,031   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,034   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,037   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,039   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,042   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,045   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,048   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,050   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,053   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,056   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,058   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,061   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,063   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,066   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,068   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,071   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,073   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,076   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,078   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,081   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,083   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,086   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,089   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,091   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,094   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,097   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,100   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,102   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,105   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,108   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,110   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,113   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,116   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,118   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,121   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,123   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,126   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:38,128   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,130   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,132   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,135   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,137   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,140   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,142   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,145   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,147   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,149   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,152   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,155   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,157   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,160   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,163   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,165   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,169   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,173   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,177   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,181   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,184   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,187   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,191   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,195   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,200   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,203   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,206   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,209   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,213   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,216   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,219   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,222   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,225   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,228   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,230   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,233   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,236   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,238   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,241   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,244   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,246   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,250   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,255   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,258   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,262   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,265   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,268   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,272   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,278   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,283   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,286   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,289   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,292   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,295   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,297   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,300   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,303   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:38,305   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,307   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,310   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,312   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,315   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,317   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,320   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,322   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,325   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,327   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,330   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,334   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,337   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,339   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,342   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,345   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,348   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,350   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,353   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,356   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,358   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,361   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,364   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,366   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,369   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,371   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,374   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,376   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,379   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,382   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,385   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,388   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,390   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,392   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,395   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,398   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,401   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,403   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,406   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,408   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,411   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,414   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,417   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:38,419   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,420   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,423   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,426   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,428   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,431   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,433   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,436   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,438   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,441   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,443   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,446   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,448   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,450   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,453   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,455   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,458   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,460   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,462   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,465   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,467   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,470   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,472   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,475   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,477   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,479   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,482   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,484   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,487   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,489   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,492   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,494   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,497   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,499   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,502   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,504   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,507   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,509   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,512   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,514   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,517   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,519   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,522   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,524   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,527   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,529   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,531   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,534   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,537   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,539   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,542   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:38,544   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,546   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,549   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,551   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,554   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,557   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,559   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,561   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,564   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,566   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,569   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,572   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:38,574   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,575   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,578   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,580   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,583   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,585   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,588   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,590   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,593   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:38,595   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,596   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,599   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,601   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,604   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,606   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,609   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,611   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,614   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,616   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,619   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,622   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,624   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,627   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,629   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,632   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,635   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,637   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,640   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,642   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,645   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,648   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,650   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,653   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,656   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,658   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,661   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,663   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,666   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,668   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,671   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,674   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,676   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,679   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,681   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,684   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,686   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,689   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,691   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,694   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,696   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,699   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,701   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,704   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,707   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,709   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,712   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,714   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,717   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,719   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,722   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,724   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,727   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,730   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,732   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,735   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,737   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,740   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,742   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,744   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,747   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,749   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,752   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,754   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,756   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,759   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,761   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,764   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,766   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,769   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,772   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,774   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,777   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,779   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,782   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,785   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,788   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,790   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,793   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,796   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,799   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,802   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,805   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,808   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,810   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,813   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,817   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,820   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,822   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,825   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,827   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,830   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,832   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,835   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,838   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,840   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,843   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,846   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,849   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,851   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,854   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,857   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,860   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,862   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,865   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,867   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,870   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,873   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,875   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,878   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,880   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,883   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,886   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,888   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,891   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,894   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,896   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,899   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,902   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,904   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,907   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:38,909   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,910   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,914   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,917   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,919   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,922   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,924   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,927   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,929   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:38,931   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,933   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,936   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,938   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,941   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,943   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:38,946   creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,947   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,950   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,953   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,955   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,958   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,961   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,964   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,966   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,969   copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,973   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,976   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,979   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,981   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,984   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,987   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,989   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,993   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,995   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:38,998   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,000   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,004   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,007   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,010   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,013   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,016   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,019   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,021   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,024   copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,028   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,031   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,034   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,037   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,039   copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,042   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,045   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,049   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,052   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,057   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,059   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,061   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,064   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,067   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,069   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,072   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,074   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,077   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,079   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,085   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,088   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,091   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,094   copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,097   copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,100   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,103   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,106   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,108   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,111   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,114   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,116   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,119   copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,121   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,124   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,127   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,130   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,132   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,135   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,137   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,140   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,142   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,145   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,147   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,150   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,152   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,155   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,158   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,160   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,162   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,165   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:28:39,169   copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset
2025-08-31T09:28:39,182   copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset
2025-08-31T09:28:57,819   installing to build/bdist.linux-armv7l/wheel
2025-08-31T09:28:57,819   running install
2025-08-31T09:28:57,843   running install_lib
2025-08-31T09:28:57,850   creating build/bdist.linux-armv7l/wheel
2025-08-31T09:28:57,852   creating build/bdist.linux-armv7l/wheel/xcbm
2025-08-31T09:28:57,853   copying build/lib/xcbm/GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm
2025-08-31T09:28:57,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset
2025-08-31T09:28:57,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05
2025-08-31T09:28:57,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES
2025-08-31T09:28:57,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18
2025-08-31T09:28:57,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:57,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:57,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:57,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:57,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:57,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:57,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:57,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:57,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:57,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:57,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:57,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:57,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:57,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:57,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:57,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:57,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:57,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:57,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:57,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:57,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:57,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:57,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:57,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:57,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:57,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:57,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:57,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:57,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:57,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:57,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:57,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:57,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:57,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:57,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:57,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:57,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:57,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:57,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:57,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:57,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:57,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:57,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:57,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:57,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:57,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:57,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:57,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:57,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:57,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:57,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:57,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:57,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:57,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:57,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:57,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:57,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:57,982   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:57,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11
2025-08-31T09:28:57,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:28:57,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:28:57,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:28:57,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:28:57,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:28:57,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:28:58,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:28:58,001   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:28:58,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:28:58,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:28:58,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:28:58,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:28:58,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:28:58,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:28:58,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:28:58,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:28:58,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:28:58,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:28:58,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:28:58,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:28:58,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:28:58,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:28:58,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:28:58,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:28:58,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:58,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:58,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:28:58,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:28:58,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:58,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:58,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:28:58,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:28:58,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:28:58,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:28:58,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:58,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:58,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:28:58,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:28:58,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:28:58,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:28:58,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:58,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:58,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:28:58,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:28:58,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:28:58,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:28:58,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:58,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:58,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:28:58,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:28:58,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:28:58,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:28:58,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:28:58,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:28:58,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:28:58,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:28:58,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:28:58,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:28:58,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:28:58,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:28:58,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:28:58,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:28:58,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:28:58,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:28:58,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:58,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:58,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:28:58,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:28:58,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:58,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:58,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:28:58,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:28:58,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:58,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:58,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:28:58,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:28:58,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:28:58,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:28:58,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:58,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:58,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:58,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:58,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:28:58,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:28:58,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:58,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:58,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:28:58,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:28:58,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:58,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:58,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:58,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:58,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:28:58,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:28:58,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:28:58,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:28:58,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:58,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:58,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:28:58,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:28:58,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:28:58,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:28:58,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:28:58,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:28:58,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:28:58,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:28:58,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:28:58,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:28:58,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:58,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:58,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:28:58,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:28:58,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:28:58,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:28:58,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:28:58,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:28:58,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:28:58,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:28:58,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:28:58,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:28:58,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:28:58,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:28:58,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:28:58,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:28:58,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:58,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:58,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:28:58,461   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:28:58,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:28:58,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:28:58,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:28:58,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:28:58,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:28:58,490   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:28:58,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:28:58,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:28:58,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:58,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:58,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:28:58,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:28:58,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:28:58,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:28:58,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:28:58,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:28:58,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:28:58,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:28:58,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:28:58,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:28:58,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:28:58,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:28:58,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:58,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:58,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:28:58,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:28:58,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:28:58,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:28:58,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:58,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:58,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:58,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:58,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:58,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:58,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:28:58,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:28:58,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:28:58,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:28:58,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:28:58,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:28:58,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:28:58,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:28:58,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:58,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:58,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:28:58,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:28:58,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:28:58,577   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:28:58,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:58,581   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:58,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:58,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:58,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:28:58,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:28:58,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:28:58,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:28:58,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:28:58,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:28:58,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:58,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:58,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:28:58,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:28:58,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:58,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:58,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:28:58,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:28:58,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:28:58,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:28:58,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:28:58,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:28:58,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:28:58,624   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:28:58,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:28:58,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:28:58,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:28:58,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:28:58,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:28:58,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:28:58,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:28:58,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:28:58,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:58,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:58,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:28:58,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:28:58,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:58,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:58,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:28:58,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:28:58,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:28:58,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:28:58,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:58,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:58,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:28:58,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:28:58,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:58,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:58,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:28:58,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:28:58,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:58,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:58,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:28:58,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:28:58,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:58,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:58,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:28:58,694   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:28:58,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:28:58,698   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:28:58,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:28:58,702   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:28:58,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:28:58,706   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:28:58,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:28:58,710   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:28:58,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:58,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:58,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:58,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:58,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:28:58,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:28:58,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:58,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:58,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:28:58,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:28:58,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:28:58,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:28:58,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:28:58,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:28:58,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:58,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:58,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:58,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:58,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:28:58,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:28:58,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:28:58,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:28:58,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:28:58,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:28:58,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:28:58,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:28:58,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:28:58,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:28:58,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:28:58,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:28:58,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:28:58,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:28:58,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:58,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:58,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:28:58,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:28:58,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:58,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:58,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:28:58,790   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:28:58,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:28:58,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:28:58,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:28:58,798   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:28:58,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:58,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:58,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:28:58,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:28:58,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:28:58,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:28:58,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:58,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:58,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:28:58,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:28:58,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:28:58,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:28:58,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:28:58,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:28:58,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:58,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:58,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:58,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:58,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20
2025-08-31T09:28:58,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:28:58,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:28:58,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:28:58,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:28:58,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:28:58,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:28:58,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:28:58,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:28:58,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:28:58,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:28:58,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:28:58,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:28:58,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:28:58,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:28:58,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:28:58,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:28:58,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:28:58,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:28:58,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:28:58,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:28:58,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:28:58,882   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:28:58,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:28:58,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:28:58,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:28:58,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:28:58,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:28:58,895   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:28:58,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:28:58,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:28:58,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:28:58,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:28:58,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:28:58,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:28:58,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:28:58,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:28:58,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:28:58,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:28:58,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:28:58,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:28:58,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:28:58,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:28:58,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:28:58,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:28:58,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:28:58,948   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:28:58,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:28:58,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:28:58,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:28:58,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:28:58,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:28:58,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:28:58,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:28:58,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:28:58,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:28:58,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:28:58,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:28:58,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:28:58,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:28:58,985   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:28:58,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:28:58,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:28:59,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:28:59,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:28:59,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:28:59,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:28:59,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:28:59,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:28:59,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:28:59,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:28:59,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:28:59,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:28:59,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI
2025-08-31T09:28:59,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:28:59,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:28:59,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:59,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:59,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:59,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:59,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:59,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:59,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:28:59,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:28:59,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:59,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:59,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:59,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:59,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:59,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:59,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:59,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:59,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:59,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:59,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:28:59,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:28:59,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:59,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:59,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:59,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:59,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:59,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:59,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:59,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:59,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:59,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:59,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:59,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:59,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:59,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:59,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:59,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:59,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:59,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:59,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:59,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:59,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:59,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:59,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:59,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:59,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:59,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:59,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:59,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:59,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:59,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:59,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:59,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:59,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:59,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:59,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:59,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:59,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:59,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:59,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:59,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:59,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:59,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:59,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:59,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:59,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:59,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:59,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:59,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:59,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:28:59,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:28:59,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:59,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:59,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:59,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:59,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:59,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:59,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:28:59,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:28:59,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:28:59,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:28:59,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:59,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:59,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:59,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:59,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:59,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:59,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:59,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:59,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:59,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:59,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:59,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:59,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:59,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:59,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:59,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:59,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:59,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:59,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:59,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:59,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:59,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:59,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:59,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:59,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:59,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:59,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:59,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:59,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:59,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:59,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:59,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:59,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:59,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:59,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:28:59,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:28:59,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:59,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:59,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:28:59,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:28:59,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC
2025-08-31T09:28:59,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:28:59,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:28:59,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:28:59,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:28:59,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:28:59,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:28:59,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:28:59,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:28:59,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:28:59,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:28:59,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:28:59,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:28:59,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:28:59,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:28:59,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:28:59,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:28:59,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:28:59,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:28:59,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:28:59,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:28:59,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:28:59,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:28:59,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:28:59,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:28:59,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:28:59,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:28:59,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:59,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:59,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:28:59,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:28:59,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:28:59,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:28:59,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:28:59,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:28:59,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:59,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:59,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:28:59,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:28:59,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:28:59,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:28:59,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:28:59,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:28:59,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:28:59,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:28:59,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13
2025-08-31T09:28:59,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:28:59,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:28:59,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:59,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:59,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:59,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:59,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:59,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:59,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:59,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:59,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:59,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:59,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:59,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:59,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:59,431   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:59,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:59,435   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:59,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:28:59,440   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:28:59,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:28:59,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:28:59,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:59,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:59,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:59,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:59,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:28:59,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:28:59,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:59,461   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:59,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:59,465   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:59,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:28:59,469   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:28:59,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:59,473   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:59,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:59,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:59,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:59,482   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:59,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:59,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:59,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:59,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:59,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:59,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:59,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:28:59,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:28:59,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:28:59,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:28:59,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:59,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:59,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:59,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:59,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:28:59,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:28:59,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:59,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:59,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6
2025-08-31T09:28:59,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:28:59,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:28:59,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:28:59,530   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:28:59,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:28:59,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:28:59,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:28:59,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:28:59,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:28:59,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:28:59,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:28:59,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:28:59,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:28:59,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:28:59,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:28:59,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:28:59,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:28:59,560   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:28:59,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:28:59,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:28:59,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:28:59,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:28:59,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:28:59,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:28:59,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:28:59,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:28:59,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:28:59,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:28:59,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:28:59,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:28:59,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:28:59,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:28:59,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:28:59,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:28:59,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:28:59,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:28:59,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15
2025-08-31T09:28:59,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:28:59,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:28:59,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:28:59,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:28:59,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:28:59,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:28:59,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:28:59,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:28:59,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:28:59,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:28:59,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:28:59,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:28:59,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:28:59,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:28:59,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:28:59,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:28:59,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:28:59,634   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:28:59,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:28:59,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:28:59,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:28:59,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:28:59,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:28:59,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:28:59,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:28:59,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:28:59,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:28:59,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:28:59,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:28:59,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:28:59,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:28:59,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:28:59,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:28:59,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:28:59,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:28:59,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:28:59,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:28:59,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:28:59,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:28:59,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:28:59,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:28:59,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:28:59,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:28:59,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:28:59,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:28:59,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:28:59,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:28:59,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:28:59,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:28:59,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:28:59,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF
2025-08-31T09:28:59,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:59,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:59,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:59,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:59,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:59,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:59,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:59,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:59,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:59,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:59,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:59,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:59,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:59,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:59,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:59,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:59,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:59,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:59,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:59,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:59,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:59,748   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:59,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:59,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:59,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:59,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:59,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:59,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:59,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:59,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:59,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:59,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:59,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:59,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:59,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:59,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:59,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:59,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:59,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:59,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:59,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:59,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:59,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:59,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:59,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:59,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:59,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:59,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:59,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:59,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:59,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:59,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:59,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:59,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:59,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21
2025-08-31T09:28:59,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:28:59,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:28:59,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:28:59,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:28:59,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:28:59,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:28:59,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:28:59,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:28:59,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:28:59,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:28:59,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:28:59,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:28:59,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:28:59,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:28:59,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:28:59,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:28:59,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:28:59,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:28:59,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:28:59,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:28:59,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:28:59,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:28:59,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:28:59,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:28:59,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:28:59,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:28:59,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:28:59,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:28:59,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:28:59,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:28:59,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:28:59,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:28:59,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:28:59,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:28:59,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:28:59,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:28:59,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:28:59,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:28:59,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:28:59,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:28:59,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:28:59,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:28:59,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:28:59,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:28:59,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:28:59,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:28:59,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:28:59,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:28:59,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:28:59,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:28:59,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:28:59,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:28:59,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:28:59,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:28:59,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:28:59,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:28:59,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:28:59,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:28:59,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:28:59,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:28:59,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:28:59,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:28:59,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:28:59,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:28:59,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:28:59,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:28:59,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:28:59,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:28:59,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:28:59,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:28:59,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:28:59,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:28:59,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:28:59,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:28:59,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:28:59,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:28:59,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:28:59,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:28:59,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:28:59,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:28:59,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:28:59,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:28:59,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27
2025-08-31T09:28:59,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:59,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:59,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:59,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:59,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:59,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:59,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:59,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:00,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:00,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:00,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:00,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:00,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:00,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:00,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:00,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:00,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:29:00,019   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:29:00,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:00,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:00,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:00,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:00,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:00,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:00,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:00,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:00,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:00,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:00,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:00,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:00,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:00,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:00,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:00,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:00,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:00,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:00,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:00,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:00,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:00,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:00,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:00,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:00,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:00,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:00,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:00,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:00,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:29:00,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:29:00,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:00,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:00,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:00,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:00,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:00,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:00,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:00,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:00,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:00,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:00,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:00,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:00,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10
2025-08-31T09:29:00,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:00,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:00,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:00,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:00,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:00,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:00,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:00,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:00,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:00,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:00,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:00,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:00,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:00,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:00,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:00,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:00,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:00,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:00,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:00,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:00,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:00,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:00,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:00,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:00,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:00,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:00,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:00,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:00,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:00,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:00,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:00,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:00,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:00,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:00,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:00,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:00,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:00,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:00,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:00,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:00,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36
2025-08-31T09:29:00,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:29:00,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:29:00,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:29:00,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:29:00,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:29:00,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:29:00,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:29:00,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:29:00,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:00,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:00,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:29:00,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:29:00,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:29:00,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:29:00,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:29:00,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:29:00,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:29:00,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:29:00,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:29:00,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:29:00,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:29:00,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:29:00,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:29:00,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:29:00,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:29:00,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:29:00,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:29:00,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:29:00,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:29:00,264   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:29:00,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:29:00,269   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:29:00,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:29:00,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:29:00,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:29:00,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:29:00,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:29:00,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:29:00,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:29:00,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:29:00,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:29:00,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:29:00,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:29:00,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:29:00,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:29:00,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:29:00,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:29:00,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:29:00,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:29:00,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:29:00,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:29:00,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:29:00,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:29:00,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:29:00,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:29:00,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:29:00,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:29:00,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:29:00,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:29:00,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:29:00,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:29:00,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:29:00,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:29:00,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:29:00,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:29:00,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:29:00,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:29:00,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:29:00,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:29:00,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:29:00,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:29:00,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:29:00,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:29:00,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:29:00,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:29:00,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:29:00,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24
2025-08-31T09:29:00,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:00,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:00,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:00,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:00,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:29:00,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:29:00,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:29:00,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:29:00,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:00,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:00,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:00,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:00,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:00,395   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:00,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:00,399   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:00,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:00,403   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:00,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:29:00,407   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:29:00,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:00,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:00,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:00,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:00,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:00,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:00,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:00,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:00,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:00,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:00,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:00,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:00,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:00,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:00,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:00,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:00,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:00,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:00,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:00,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:00,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:29:00,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:29:00,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:00,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:00,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:00,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:00,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:00,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:00,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:00,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:00,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:00,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:00,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:00,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:00,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:00,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:00,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:29:00,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:29:00,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:00,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:00,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:00,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:00,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:29:00,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:29:00,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:00,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:00,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:00,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:00,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:00,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:00,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:29:00,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:29:00,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:00,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:00,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:00,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:00,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:00,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:00,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:00,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:00,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:29:00,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:29:00,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:29:00,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:29:00,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:00,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:00,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:00,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:00,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:29:00,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:29:00,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:00,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:00,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:00,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:00,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:00,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:00,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43
2025-08-31T09:29:00,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:29:00,572   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:29:00,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:00,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:00,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:00,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:00,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:29:00,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:29:00,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:29:00,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:29:00,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:29:00,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:29:00,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:00,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:00,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:29:00,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:29:00,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:29:00,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:29:00,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:29:00,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:29:00,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:29:00,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:29:00,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:29:00,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:29:00,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:29:00,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:29:00,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:29:00,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:29:00,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:29:00,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:29:00,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:29:00,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:29:00,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:00,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:00,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:00,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:00,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:29:00,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:29:00,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:29:00,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:29:00,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:29:00,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:29:00,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:29:00,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:29:00,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:29:00,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:29:00,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:29:00,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:29:00,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:29:00,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:29:00,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:29:00,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:29:00,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:29:00,678   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:29:00,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:29:00,682   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:29:00,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:29:00,686   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:29:00,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:29:00,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:29:00,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:29:00,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:29:00,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:29:00,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:29:00,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:29:00,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:29:00,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:29:00,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:29:00,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:29:00,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:29:00,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:29:00,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:29:00,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:29:00,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:29:00,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:29:00,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:29:00,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:29:00,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:29:00,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:29:00,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:29:00,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:29:00,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:29:00,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:29:00,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:29:00,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:29:00,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:29:00,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:00,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:00,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:00,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:00,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:00,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:00,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:00,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:00,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:29:00,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:29:00,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:29:00,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:29:00,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:29:00,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:29:00,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:29:00,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:29:00,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:29:00,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:29:00,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:29:00,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:29:00,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:29:00,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:29:00,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:29:00,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:29:00,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:29:00,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:29:00,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:29:00,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:29:00,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:29:00,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:29:00,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43
2025-08-31T09:29:00,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:29:00,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:29:00,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:29:00,814   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:29:00,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:29:00,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:29:00,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:29:00,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:29:00,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:29:00,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:29:00,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:29:00,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:29:00,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:29:00,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:29:00,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:29:00,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:29:00,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:29:00,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:29:00,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:29:00,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:29:00,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:29:00,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:29:00,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:29:00,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:29:00,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:29:00,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:29:00,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:29:00,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:29:00,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:29:00,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:29:00,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:29:00,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:29:00,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:29:00,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:29:00,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:29:00,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:29:00,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:29:00,882   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:29:00,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:29:00,886   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:29:00,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:29:00,890   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:29:00,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:29:00,894   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:29:00,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:29:00,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:29:00,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:29:00,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:29:00,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:29:00,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:29:00,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:29:00,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:29:00,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:29:00,914   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:29:00,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:29:00,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:29:00,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:29:00,923   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:29:00,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:29:00,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:29:00,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:29:00,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:29:00,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:29:00,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:29:00,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:29:00,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:29:00,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:29:00,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:29:00,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:29:00,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:29:00,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:29:00,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:29:00,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:29:00,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:29:00,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:29:00,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:29:00,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:29:00,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:29:00,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:29:00,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:29:00,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:29:00,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:29:00,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:29:00,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:29:00,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:29:00,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:29:00,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:29:00,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:29:00,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:29:00,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:29:00,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:29:00,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:29:00,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:29:00,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:29:00,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:29:00,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:29:01,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:29:01,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:29:01,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:29:01,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:29:01,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:29:01,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:29:01,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:29:01,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:29:01,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:29:01,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:29:01,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:29:01,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:29:01,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:29:01,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:29:01,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:29:01,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:29:01,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:29:01,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:29:01,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:29:01,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:29:01,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:29:01,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:29:01,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:29:01,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:29:01,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:29:01,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:29:01,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:29:01,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:29:01,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:29:01,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:29:01,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:29:01,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:29:01,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:29:01,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:29:01,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:29:01,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:29:01,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:29:01,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:29:01,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:29:01,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:29:01,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:29:01,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:29:01,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:29:01,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:29:01,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:29:01,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:29:01,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:29:01,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:29:01,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:29:01,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:29:01,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:29:01,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:29:01,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:29:01,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:29:01,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:29:01,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:29:01,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:29:01,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:29:01,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:29:01,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:29:01,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:29:01,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:29:01,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:29:01,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:29:01,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:29:01,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:29:01,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:29:01,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:29:01,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:29:01,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:29:01,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:29:01,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:29:01,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:29:01,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:29:01,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:29:01,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:29:01,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:29:01,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:29:01,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:29:01,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:29:01,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18
2025-08-31T09:29:01,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:29:01,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:29:01,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:29:01,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:29:01,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:29:01,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:29:01,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:29:01,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:29:01,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:01,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:01,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:29:01,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:29:01,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:29:01,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:29:01,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:29:01,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:29:01,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:29:01,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:29:01,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:29:01,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:29:01,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:01,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:01,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:29:01,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:29:01,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:29:01,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:29:01,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:29:01,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:29:01,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:29:01,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:29:01,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:29:01,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:29:01,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:29:01,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:29:01,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:29:01,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:29:01,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:29:01,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:29:01,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:01,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:01,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:29:01,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:29:01,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:29:01,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:29:01,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:01,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:01,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:29:01,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:29:01,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:29:01,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:29:01,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8
2025-08-31T09:29:01,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:01,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:01,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:29:01,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:29:01,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:01,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:01,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:01,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:01,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:01,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:01,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:29:01,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:29:01,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:01,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:01,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:01,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:01,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:29:01,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:29:01,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:29:01,303   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:29:01,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:01,307   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:01,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:29:01,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:29:01,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:29:01,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:29:01,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:29:01,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:29:01,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:29:01,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:29:01,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:01,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:01,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:01,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:01,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF
2025-08-31T09:29:01,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:29:01,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:29:01,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:29:01,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:29:01,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:29:01,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:29:01,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:29:01,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:29:01,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:29:01,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:29:01,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:29:01,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:29:01,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:29:01,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:29:01,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:29:01,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:29:01,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:29:01,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:29:01,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:29:01,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:29:01,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:29:01,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:29:01,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:29:01,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:29:01,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:29:01,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:29:01,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:29:01,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:29:01,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:29:01,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:29:01,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:29:01,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:29:01,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:29:01,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:29:01,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:29:01,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:29:01,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:29:01,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:29:01,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16
2025-08-31T09:29:01,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:29:01,416   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:29:01,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:29:01,419   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:29:01,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:29:01,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:29:01,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:29:01,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:29:01,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:29:01,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:29:01,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:29:01,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:29:01,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:29:01,439   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:29:01,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:29:01,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:29:01,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:29:01,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:29:01,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:29:01,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:29:01,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:29:01,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:29:01,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:29:01,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:29:01,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:29:01,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:29:01,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:29:01,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:29:01,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:29:01,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:29:01,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:29:01,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:29:01,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:29:01,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:29:01,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:29:01,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:29:01,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:29:01,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:29:01,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:29:01,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:29:01,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:29:01,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:29:01,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:29:01,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:29:01,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:29:01,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:29:01,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:29:01,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:29:01,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:29:01,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:29:01,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:29:01,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:29:01,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:29:01,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:29:01,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:29:01,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:29:01,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:29:01,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:29:01,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:29:01,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:29:01,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:29:01,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:29:01,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:29:01,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:29:01,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:29:01,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:29:01,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:29:01,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:29:01,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:29:01,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:29:01,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:29:01,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:29:01,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:29:01,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:29:01,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:29:01,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:29:01,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:29:01,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:29:01,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:29:01,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:29:01,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:29:01,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:29:01,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:29:01,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:29:01,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:29:01,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:29:01,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:29:01,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:29:01,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:29:01,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:29:01,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:29:01,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:29:01,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:29:01,598   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:29:01,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:29:01,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:29:01,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21
2025-08-31T09:29:01,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:29:01,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:29:01,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:29:01,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:29:01,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:29:01,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:29:01,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:29:01,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:29:01,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:29:01,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:29:01,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:29:01,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:29:01,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:29:01,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:29:01,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:29:01,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:29:01,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:29:01,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:29:01,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:29:01,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:29:01,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:29:01,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:29:01,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:29:01,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:29:01,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:29:01,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:29:01,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:29:01,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:29:01,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:29:01,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:29:01,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:29:01,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:29:01,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:29:01,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:29:01,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:29:01,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:29:01,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:29:01,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:29:01,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:29:01,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:29:01,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:29:01,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:29:01,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:29:01,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:29:01,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:29:01,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:29:01,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:29:01,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:29:01,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:29:01,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:29:01,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:29:01,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:29:01,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:29:01,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:29:01,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:29:01,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:29:01,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:29:01,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:29:01,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:29:01,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:29:01,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:29:01,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:29:01,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:29:01,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:29:01,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:29:01,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:29:01,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:29:01,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:29:01,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:29:01,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:29:01,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:29:01,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:29:01,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:29:01,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:29:01,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:29:01,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:29:01,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:29:01,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:29:01,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:29:01,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:29:01,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:29:01,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:29:01,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:29:01,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:29:01,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:29:01,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:29:01,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:29:01,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:29:01,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:29:01,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:29:01,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:29:01,790   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:29:01,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:29:01,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:29:01,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:29:01,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:29:01,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:29:01,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:29:01,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:29:01,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:29:01,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:29:01,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:29:01,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:29:01,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:29:01,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:29:01,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:29:01,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:29:01,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:29:01,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:29:01,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:29:01,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:29:01,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:29:01,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:29:01,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:29:01,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:29:01,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:29:01,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:29:01,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:29:01,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:29:01,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:29:01,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:29:01,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:29:01,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:29:01,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:29:01,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:29:01,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:29:01,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12
2025-08-31T09:29:01,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:01,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:01,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:01,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:01,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:01,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:01,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:01,882   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:01,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:01,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:01,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:01,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:01,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:01,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:01,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:01,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:01,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:01,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:01,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:01,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:01,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:01,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:01,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:01,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:01,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:01,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:01,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:01,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:01,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:01,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:01,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:01,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:01,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:01,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:01,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:01,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:01,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:01,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:01,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:01,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:01,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:01,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:01,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:01,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:01,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:01,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:01,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:01,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:01,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:01,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:01,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:01,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:01,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:01,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:01,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:01,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:01,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:01,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:01,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:01,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:01,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:01,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:01,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:01,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:02,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:02,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:02,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:02,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:02,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:02,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:02,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:02,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:02,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11
2025-08-31T09:29:02,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:02,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:02,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:02,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:02,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:02,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:02,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:02,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:02,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:02,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:02,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:02,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:02,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:02,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:02,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:02,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:02,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:02,054   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:02,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:02,058   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:02,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:02,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:02,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:02,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:02,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:02,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:02,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:02,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:02,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:02,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:02,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:02,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:02,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:02,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:02,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:02,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:02,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:02,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:02,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:02,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:02,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:02,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:02,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:02,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:02,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66
2025-08-31T09:29:02,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:29:02,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:29:02,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:29:02,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:29:02,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:29:02,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:29:02,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:29:02,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:29:02,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:29:02,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:29:02,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:29:02,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:29:02,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:29:02,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:29:02,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:29:02,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:29:02,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:29:02,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:29:02,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:29:02,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:29:02,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:29:02,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:29:02,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:29:02,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:29:02,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:29:02,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:29:02,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:29:02,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:29:02,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:29:02,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:29:02,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:29:02,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:29:02,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:29:02,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:29:02,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:29:02,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:29:02,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:29:02,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:29:02,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:29:02,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:29:02,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:29:02,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:29:02,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:29:02,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:29:02,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:29:02,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:29:02,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:29:02,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:29:02,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:29:02,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:29:02,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:29:02,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:29:02,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:29:02,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:29:02,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:29:02,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:29:02,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:29:02,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:29:02,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:29:02,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:29:02,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:29:02,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:29:02,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:29:02,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:29:02,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:29:02,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:29:02,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:29:02,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:29:02,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:29:02,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:29:02,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:29:02,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:29:02,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:29:02,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:29:02,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:29:02,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:29:02,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:29:02,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:29:02,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:29:02,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:29:02,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:29:02,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:29:02,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:29:02,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:29:02,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:29:02,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:29:02,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:29:02,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:29:02,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:29:02,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:29:02,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:29:02,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:29:02,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:29:02,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:29:02,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:29:02,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:29:02,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:29:02,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:29:02,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:29:02,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:29:02,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:29:02,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:29:02,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:29:02,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:29:02,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:29:02,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:29:02,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:29:02,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:29:02,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:29:02,333   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:29:02,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:29:02,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:29:02,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:29:02,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:29:02,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:29:02,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:29:02,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:29:02,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:29:02,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:29:02,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:29:02,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:29:02,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:29:02,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:29:02,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:29:02,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:29:02,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:29:02,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:29:02,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:29:02,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:29:02,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:29:02,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:29:02,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:29:02,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:29:02,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:29:02,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:29:02,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:29:02,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:29:02,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:29:02,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:29:02,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:29:02,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:29:02,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:29:02,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:29:02,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:29:02,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:29:02,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:29:02,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:29:02,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:29:02,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:29:02,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:29:02,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:29:02,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:29:02,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:29:02,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:29:02,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:29:02,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:29:02,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:29:02,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:29:02,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:29:02,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:29:02,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:29:02,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:29:02,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:29:02,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:29:02,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:29:02,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:29:02,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:29:02,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:29:02,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:29:02,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:29:02,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:29:02,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:29:02,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:29:02,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:29:02,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:29:02,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:29:02,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:29:02,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:29:02,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:29:02,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:29:02,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:29:02,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:29:02,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:29:02,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:29:02,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:29:02,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:29:02,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:29:02,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:29:02,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:29:02,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:29:02,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:29:02,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:29:02,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:29:02,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:29:02,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:29:02,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:29:02,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:29:02,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:29:02,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:29:02,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:29:02,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:29:02,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:29:02,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:29:02,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:29:02,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:29:02,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:29:02,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:29:02,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:29:02,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:29:02,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:29:02,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:29:02,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:29:02,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:29:02,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:29:02,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:29:02,548   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:29:02,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:29:02,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:29:02,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:29:02,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:29:02,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:29:02,560   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:29:02,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:29:02,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:29:02,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:29:02,568   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:29:02,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:29:02,572   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:29:02,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:29:02,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:29:02,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:29:02,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:29:02,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:29:02,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:29:02,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:29:02,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:29:02,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:29:02,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:29:02,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:29:02,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:29:02,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:29:02,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:29:02,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:29:02,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:29:02,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:29:02,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:29:02,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:29:02,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:29:02,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:29:02,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:29:02,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:29:02,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:29:02,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:29:02,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:29:02,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:29:02,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:29:02,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:29:02,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:29:02,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:29:02,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:29:02,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:29:02,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:29:02,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:29:02,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:29:02,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:29:02,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:29:02,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:29:02,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:29:02,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:29:02,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:29:02,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:29:02,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:29:02,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:29:02,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:29:02,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:29:02,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:29:02,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:29:02,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:29:02,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:29:02,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:29:02,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:29:02,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:29:02,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:29:02,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:29:02,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:29:02,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:29:02,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:29:02,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:29:02,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:29:02,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:29:02,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:29:02,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:29:02,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:29:02,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:29:02,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:29:02,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:29:02,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:29:02,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:29:02,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:29:02,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:29:02,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:29:02,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:29:02,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:29:02,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:29:02,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:29:02,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:29:02,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:29:02,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:29:02,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:29:02,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:29:02,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:29:02,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:29:02,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:29:02,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:29:02,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:29:02,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:29:02,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:29:02,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:29:02,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:29:02,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:29:02,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:29:02,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:29:02,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:29:02,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:29:02,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:29:02,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:29:02,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:29:02,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:29:02,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:29:02,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:29:02,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:29:02,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:29:02,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:29:02,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:29:02,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:29:02,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:29:02,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:29:02,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:29:02,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:29:02,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:29:02,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:29:02,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:29:02,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:29:02,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:29:02,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:29:02,817   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:29:02,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:29:02,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:29:02,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:29:02,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:29:02,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:29:02,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:29:02,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:29:02,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:29:02,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:29:02,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:29:02,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:29:02,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:29:02,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:29:02,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:29:02,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:29:02,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:29:02,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:29:02,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:29:02,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:29:02,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:29:02,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:29:02,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:29:02,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:29:02,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:29:02,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:29:02,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:29:02,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:29:02,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:29:02,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:29:02,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:29:02,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:29:02,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:29:02,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:29:02,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:29:02,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:29:02,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:29:02,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:29:02,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:29:02,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:29:02,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:29:02,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:29:02,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:29:02,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:29:02,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:29:02,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:29:02,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:29:02,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:29:02,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:29:02,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:29:02,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:29:02,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76
2025-08-31T09:29:02,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:02,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:02,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:29:02,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:29:02,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:29:02,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:29:02,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:29:02,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:29:02,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:29:02,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:29:02,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:29:02,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:29:02,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:29:02,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:29:02,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:29:02,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:29:02,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:29:02,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:29:02,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:29:02,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:29:02,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:02,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:02,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:29:02,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:29:02,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:29:02,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:29:02,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:29:02,986   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:29:02,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:29:02,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:29:02,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:29:02,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:29:02,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:29:02,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:29:03,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:03,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:03,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:03,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:03,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:03,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:03,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:29:03,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:29:03,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:03,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:03,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:03,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:03,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:29:03,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:29:03,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:03,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:03,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:29:03,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:29:03,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:29:03,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:29:03,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:29:03,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:29:03,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:29:03,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:29:03,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:03,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:03,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:29:03,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:29:03,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:29:03,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:29:03,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:03,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:03,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:29:03,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:29:03,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:29:03,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:29:03,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:29:03,094   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:29:03,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:29:03,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:29:03,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:03,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:03,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:29:03,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:29:03,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:29:03,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:29:03,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:29:03,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:29:03,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:29:03,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:29:03,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:29:03,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:29:03,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:29:03,131   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:29:03,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:03,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:03,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:29:03,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:29:03,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:29:03,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:29:03,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:29:03,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:29:03,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:29:03,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:29:03,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:29:03,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:29:03,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:29:03,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:29:03,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:29:03,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:29:03,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:29:03,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:29:03,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:29:03,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:29:03,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:29:03,176   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:29:03,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:03,180   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:03,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:29:03,184   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:29:03,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:29:03,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:29:03,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:03,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:03,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:29:03,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:29:03,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:29:03,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:29:03,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:03,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:03,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:29:03,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:29:03,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:29:03,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:29:03,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:29:03,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:29:03,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:29:03,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:29:03,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:29:03,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:29:03,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:29:03,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:29:03,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:03,233   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:03,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:29:03,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:29:03,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:29:03,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:29:03,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:29:03,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:29:03,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:29:03,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:29:03,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:29:03,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:29:03,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:03,257   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:03,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:29:03,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:29:03,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:03,266   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:03,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:03,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:03,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:29:03,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:29:03,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:03,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:03,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:29:03,281   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:29:03,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:03,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:03,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:29:03,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:29:03,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:29:03,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:29:03,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:29:03,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:29:03,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:29:03,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:29:03,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel
2025-08-31T09:29:03,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:03,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:03,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:29:03,313   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:29:03,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:03,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:03,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:29:03,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:29:03,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:29:03,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:29:03,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:29:03,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:29:03,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:03,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:03,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:03,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:03,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:29:03,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:29:03,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:29:03,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:29:03,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:03,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:03,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:29:03,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:29:03,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:29:03,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:29:03,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:03,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:03,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:03,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:03,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:29:03,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:29:03,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:29:03,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:29:03,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:29:03,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:29:03,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:03,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:03,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:03,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:03,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:29:03,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:29:03,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:03,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:03,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:29:03,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:29:03,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:03,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:03,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:03,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:03,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:29:03,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:29:03,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:29:03,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:29:03,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:29:03,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:29:03,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:29:03,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:29:03,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:29:03,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:29:03,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:29:03,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:29:03,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4
2025-08-31T09:29:03,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:29:03,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:29:03,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:03,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:03,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:03,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:03,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:03,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:03,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:03,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:03,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:03,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:03,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:03,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:03,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:03,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:03,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:03,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:03,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:03,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:03,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:03,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:03,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:03,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:03,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:03,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:03,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:03,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:03,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:03,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:03,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:03,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:03,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:03,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:03,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:03,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:03,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:03,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:03,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:03,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:03,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:03,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:03,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:03,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:03,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:29:03,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:29:03,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22
2025-08-31T09:29:03,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:29:03,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:29:03,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:29:03,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:29:03,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:29:03,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:29:03,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:29:03,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:29:03,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:29:03,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:29:03,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:29:03,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:29:03,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:29:03,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:29:03,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:29:03,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:29:03,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:29:03,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:29:03,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:29:03,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:29:03,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:29:03,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:29:03,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:29:03,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:29:03,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:29:03,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:29:03,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:29:03,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:29:03,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:29:03,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:29:03,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:29:03,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:29:03,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:29:03,598   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:29:03,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:29:03,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:29:03,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:29:03,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:29:03,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:29:03,611   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:29:03,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:29:03,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:29:03,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:29:03,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:29:03,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:29:03,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:29:03,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:29:03,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:29:03,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:29:03,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:29:03,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:29:03,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:29:03,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:29:03,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:29:03,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:29:03,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:29:03,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:29:03,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:29:03,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:29:03,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:29:03,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:29:03,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:29:03,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:29:03,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:29:03,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:29:03,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:29:03,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:29:03,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:29:03,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:29:03,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:29:03,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:29:03,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:29:03,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:29:03,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:29:03,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:29:03,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:29:03,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:29:03,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:29:03,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:29:03,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:29:03,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:29:03,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:29:03,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:29:03,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:29:03,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:29:03,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:29:03,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:29:03,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:29:03,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:29:03,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:29:03,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:29:03,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:29:03,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:29:03,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:29:03,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:29:03,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:29:03,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:29:03,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:29:03,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:29:03,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:29:03,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:29:03,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:29:03,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:29:03,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:29:03,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:29:03,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:29:03,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:29:03,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:29:03,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:29:03,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:29:03,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:29:03,761   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:29:03,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:29:03,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:29:03,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18
2025-08-31T09:29:03,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:03,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:03,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:03,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:03,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:03,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:03,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:03,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:03,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:03,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:03,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:03,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:03,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:03,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:03,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:03,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:03,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:03,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:03,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:03,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:03,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:03,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:03,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:03,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:03,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:03,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:03,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:03,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:03,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:03,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:03,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:03,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:03,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:03,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:03,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:03,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:03,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:03,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:03,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:03,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:03,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:03,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:03,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:03,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:03,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:03,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:03,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:03,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:03,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:03,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:03,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:03,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:03,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:03,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:03,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:03,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:03,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC
2025-08-31T09:29:03,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:29:03,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:29:03,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:29:03,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:29:03,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:29:03,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:29:03,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:29:03,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:29:03,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:29:03,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:29:03,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:29:03,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:29:03,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:29:03,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:29:03,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:29:03,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:29:03,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:29:03,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:29:03,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:29:03,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:29:03,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:29:03,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:29:03,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:29:03,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:29:03,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:29:03,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:29:03,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:29:03,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:29:03,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:29:03,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:29:03,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:29:03,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:29:03,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:29:03,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:29:03,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:29:03,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:29:03,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:29:03,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:29:03,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:29:03,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:29:03,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:29:03,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:29:03,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:29:03,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:29:03,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:29:03,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:29:03,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:29:03,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:29:03,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:29:03,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:29:03,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:29:03,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:29:03,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:29:03,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:29:03,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:29:04,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:29:04,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:29:04,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:29:04,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:29:04,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:29:04,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:29:04,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:29:04,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:29:04,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:29:04,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:29:04,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:29:04,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:29:04,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:29:04,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:29:04,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:29:04,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:29:04,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:29:04,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:29:04,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:29:04,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:29:04,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:29:04,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:29:04,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:29:04,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:29:04,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:29:04,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:29:04,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:29:04,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:29:04,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:29:04,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:29:04,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:29:04,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:29:04,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:29:04,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:29:04,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:29:04,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:29:04,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:29:04,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:29:04,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:29:04,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26
2025-08-31T09:29:04,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:29:04,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:29:04,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:04,090   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:04,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:29:04,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:29:04,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:29:04,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:29:04,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:29:04,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:29:04,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:29:04,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:29:04,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:29:04,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:29:04,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:29:04,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:29:04,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:29:04,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:29:04,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:04,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:04,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:29:04,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:29:04,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:04,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:04,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:29:04,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:29:04,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:04,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:04,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:29:04,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:29:04,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:29:04,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:29:04,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:04,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:04,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:29:04,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:29:04,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:29:04,156   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:29:04,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:29:04,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:29:04,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:29:04,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:29:04,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:29:04,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:29:04,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:04,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:04,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:29:04,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:29:04,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:29:04,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:29:04,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:29:04,184   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:29:04,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:29:04,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:29:04,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:29:04,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:29:04,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:29:04,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:29:04,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:04,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:04,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:29:04,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:29:04,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:29:04,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:29:04,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:29:04,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:29:04,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:29:04,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:29:04,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:29:04,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:29:04,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:04,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:04,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:29:04,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:29:04,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:29:04,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:29:04,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:29:04,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:29:04,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:29:04,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:29:04,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:29:04,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:29:04,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:29:04,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:29:04,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:29:04,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:29:04,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:29:04,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:29:04,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:29:04,260   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:29:04,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:29:04,264   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:29:04,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:29:04,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:29:04,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:29:04,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:29:04,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:29:04,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:29:04,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:29:04,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:29:04,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:29:04,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:29:04,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:04,289   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:04,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51
2025-08-31T09:29:04,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:04,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:04,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:04,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:04,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:04,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:04,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:04,307   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:04,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:29:04,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:29:04,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:04,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:04,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:04,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:04,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:04,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:04,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:04,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:04,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:29:04,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:29:04,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:29:04,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:29:04,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:04,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:04,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:04,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:04,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:29:04,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:29:04,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:04,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:04,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:04,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:04,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:04,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:04,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:04,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:04,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:04,368   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:04,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:04,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:04,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:04,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:04,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:04,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:04,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:04,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:04,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:29:04,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:29:04,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:04,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:04,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:04,395   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:04,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:29:04,399   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:29:04,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:04,403   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:04,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:29:04,407   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:29:04,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:29:04,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:29:04,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:04,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:04,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:04,419   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:04,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:29:04,423   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:29:04,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:04,427   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:04,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:04,431   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:04,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:04,435   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:04,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:04,439   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:04,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:04,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:04,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:04,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:04,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:04,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:04,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:29:04,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:29:04,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:29:04,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:29:04,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:29:04,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:29:04,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:04,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:04,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:04,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:04,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:04,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:04,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:04,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:04,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:04,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:04,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:04,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:04,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:04,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:04,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:29:04,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:29:04,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:04,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:04,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:04,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:04,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:04,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:04,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:04,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:04,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:04,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:04,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:04,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:04,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:04,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:04,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:04,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:04,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:04,530   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:04,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:29:04,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:29:04,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:04,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:04,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:04,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:04,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:04,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:04,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:04,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:04,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:04,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:04,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:04,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:04,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:04,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:04,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:04,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:04,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:04,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:04,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:04,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:04,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:04,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:04,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:29:04,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:29:04,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:04,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:04,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:29:04,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:29:04,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:04,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:04,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:04,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:04,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:04,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:04,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:29:04,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:29:04,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:04,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:04,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:29:04,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:29:04,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:04,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:04,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:04,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:04,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:29:04,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:29:04,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:04,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:04,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:29:04,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:29:04,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:04,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:04,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28
2025-08-31T09:29:04,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:04,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:04,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:04,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:04,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:04,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:04,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:04,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:04,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:04,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:04,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:04,666   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:04,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:04,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:04,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:04,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:04,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:04,678   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:04,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:04,682   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:04,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:04,686   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:04,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:04,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:04,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:04,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:04,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:04,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:04,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:04,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:04,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:04,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:04,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:04,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:04,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:04,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:04,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:04,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:04,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:04,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:04,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:04,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:04,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:04,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:04,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:04,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:04,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:04,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:04,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:04,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:04,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:04,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:04,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:04,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:04,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:04,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:04,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:04,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:04,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:04,761   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:04,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:04,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:04,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:04,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:04,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:04,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:04,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:04,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:04,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:04,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:04,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:04,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:04,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:04,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:04,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:04,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:04,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23
2025-08-31T09:29:04,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:29:04,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:29:04,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:29:04,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:29:04,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:29:04,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:29:04,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:29:04,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:29:04,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:29:04,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:29:04,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:29:04,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:29:04,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:29:04,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:29:04,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:29:04,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:29:04,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:29:04,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:29:04,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:29:04,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:29:04,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:29:04,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:29:04,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:29:04,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:29:04,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:29:04,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:29:04,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:29:04,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:29:04,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:29:04,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:29:04,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:29:04,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:29:04,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:29:04,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:29:04,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:29:04,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:29:04,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:29:04,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:29:04,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:29:04,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:29:04,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:29:04,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:29:04,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:29:04,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:29:04,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:29:04,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:29:04,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:29:04,890   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:29:04,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:29:04,894   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:29:04,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:29:04,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:29:04,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:29:04,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:29:04,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:29:04,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:29:04,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:29:04,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:29:04,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:29:04,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:29:04,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:29:04,918   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:29:04,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:29:04,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:29:04,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:29:04,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:29:04,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:29:04,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:29:04,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:29:04,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:29:04,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:29:04,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:29:04,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:29:04,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:29:04,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:29:04,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:29:04,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:29:04,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:29:04,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:29:04,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:29:04,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:29:04,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:29:04,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:29:04,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:29:04,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:29:04,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:29:04,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:29:04,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:29:04,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:29:04,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:29:04,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:29:04,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:29:04,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:29:04,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:29:04,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:29:04,985   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:29:04,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:29:04,989   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:29:04,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:29:04,993   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:29:04,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:29:04,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:29:05,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:29:05,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:29:05,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:29:05,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:29:05,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:29:05,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:29:05,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:29:05,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:29:05,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:29:05,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:29:05,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:29:05,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:29:05,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:29:05,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:29:05,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:29:05,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:29:05,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:29:05,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:29:05,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:29:05,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:29:05,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:29:05,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:29:05,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:29:05,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:29:05,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:29:05,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:29:05,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:29:05,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:29:05,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:29:05,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:29:05,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:29:05,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:29:05,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:29:05,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:29:05,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:29:05,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:29:05,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27
2025-08-31T09:29:05,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:05,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:05,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:05,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:05,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:05,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:05,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:05,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:05,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:05,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:05,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:05,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:05,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:05,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:05,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:05,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:05,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:05,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:05,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:05,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:05,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:05,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:05,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:05,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:05,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:05,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:05,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:05,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:05,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:05,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:05,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:05,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:05,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:05,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:05,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:05,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:05,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:05,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:05,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:05,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:05,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:05,156   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:05,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:05,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:05,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:05,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:05,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:05,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:05,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:05,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:05,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:05,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:05,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:05,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:05,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:05,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:05,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:05,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:05,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:05,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:05,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:05,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:05,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:05,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:05,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:05,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:05,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:05,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:05,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:05,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:05,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:05,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:05,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:05,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:05,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:05,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:05,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:05,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:05,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:05,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:05,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13
2025-08-31T09:29:05,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:05,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:05,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:05,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:05,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:05,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:05,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:05,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:05,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:29:05,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:29:05,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:05,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:05,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:05,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:05,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:29:05,266   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:29:05,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:05,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:05,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:05,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:05,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:29:05,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:29:05,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:05,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:05,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:29:05,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:29:05,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:29:05,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:29:05,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:05,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:05,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:05,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:05,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:29:05,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:29:05,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:05,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:05,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:29:05,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:29:05,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:29:05,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:29:05,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:29:05,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:29:05,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:29:05,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:29:05,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:29:05,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:29:05,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:29:05,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:29:05,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:29:05,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:29:05,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:29:05,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:29:05,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:29:05,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:29:05,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:05,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:05,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:05,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:05,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:05,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:05,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34
2025-08-31T09:29:05,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:29:05,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:29:05,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:29:05,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:29:05,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:29:05,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:29:05,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:29:05,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:29:05,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:29:05,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:29:05,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:29:05,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:29:05,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:29:05,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:29:05,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:29:05,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:29:05,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:29:05,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:29:05,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:29:05,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:29:05,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:29:05,407   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:29:05,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:29:05,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:29:05,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:29:05,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:29:05,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:29:05,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:29:05,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:29:05,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:29:05,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:29:05,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:29:05,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:29:05,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:29:05,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:29:05,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:29:05,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:29:05,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:29:05,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:29:05,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:29:05,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:29:05,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:29:05,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:29:05,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:29:05,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:29:05,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:29:05,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:29:05,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:29:05,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:29:05,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:29:05,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:29:05,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:29:05,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:29:05,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:29:05,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:29:05,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:29:05,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:29:05,485   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:29:05,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:29:05,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:29:05,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:29:05,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:29:05,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:29:05,501   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:29:05,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:29:05,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:29:05,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:29:05,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:29:05,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:29:05,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:29:05,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:29:05,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:29:05,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:29:05,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:29:05,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:29:05,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:29:05,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:29:05,530   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:29:05,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:29:05,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:29:05,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:29:05,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:29:05,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:29:05,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:29:05,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:29:05,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:29:05,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:29:05,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:29:05,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:29:05,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:29:05,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:29:05,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:29:05,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:29:05,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:29:05,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:29:05,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:29:05,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:29:05,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:29:05,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:29:05,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:29:05,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:29:05,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:29:05,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:29:05,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:29:05,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:29:05,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:29:05,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:29:05,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:29:05,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:29:05,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:29:05,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:29:05,598   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:29:05,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:29:05,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:29:05,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:29:05,607   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:29:05,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:29:05,611   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:29:05,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:29:05,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:29:05,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:29:05,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:29:05,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:29:05,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:29:05,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:29:05,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:29:05,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6
2025-08-31T09:29:05,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:05,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:05,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:05,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:05,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:05,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:05,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:05,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:05,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:05,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:05,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:05,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:05,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:05,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:05,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:05,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:05,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:05,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:05,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:05,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:05,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:05,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:05,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO
2025-08-31T09:29:05,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:29:05,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:29:05,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:29:05,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:29:05,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:29:05,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:29:05,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:29:05,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:29:05,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:29:05,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:29:05,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:29:05,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:29:05,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:29:05,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:29:05,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:29:05,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:29:05,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:29:05,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:29:05,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:29:05,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:29:05,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP
2025-08-31T09:29:05,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:29:05,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:29:05,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:29:05,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:29:05,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:29:05,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:29:05,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:29:05,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:29:05,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:29:05,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:29:05,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:05,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:05,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:05,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:05,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:29:05,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:29:05,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:29:05,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:29:05,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:29:05,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:29:05,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:29:05,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:29:05,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:05,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:05,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:05,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:05,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:29:05,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:29:05,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:29:05,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:29:05,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:29:05,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:29:05,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:29:05,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:29:05,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:29:05,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:29:05,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:05,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:05,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:29:05,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:29:05,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:29:05,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:29:05,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:29:05,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:29:05,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:29:05,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:29:05,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:05,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:05,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:29:05,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:29:05,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:29:05,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:29:05,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:05,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:05,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:05,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:05,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:29:05,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:29:05,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:05,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:05,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:05,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:05,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:29:05,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:29:05,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:29:05,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:29:05,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:29:05,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:29:05,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:05,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:05,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:29:05,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:29:05,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:29:05,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:29:05,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:29:05,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:29:05,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:05,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:05,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:29:05,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:29:05,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:05,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:05,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:05,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:05,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:29:05,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:29:05,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:29:05,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:29:05,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:29:05,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:29:05,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:29:05,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:29:05,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:05,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:05,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:05,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:05,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:05,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:05,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:29:05,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:29:05,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:29:05,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:29:05,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:29:05,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:29:05,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:29:05,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:29:05,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:29:05,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:29:05,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:29:05,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:29:05,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:29:05,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:29:05,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:05,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:05,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:05,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:05,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:29:05,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:29:05,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:29:05,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:29:05,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:29:05,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:29:05,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:29:05,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:29:05,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:29:05,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:29:05,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:05,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:05,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:29:05,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:29:05,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:05,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:05,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:29:05,982   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:29:05,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:29:05,986   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:29:05,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:29:05,989   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:29:05,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:29:05,993   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:29:05,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:05,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:06,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10
2025-08-31T09:29:06,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:06,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:06,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:06,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:06,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:06,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:06,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:06,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:06,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:29:06,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:29:06,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:06,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:06,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:06,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:06,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:06,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:06,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:06,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:06,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:06,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:06,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:06,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:06,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:06,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:06,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:06,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:06,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:06,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:06,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:06,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:06,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:06,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:06,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:06,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:06,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:06,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:06,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:06,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:06,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:06,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:06,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05
2025-08-31T09:29:06,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:06,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:06,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:06,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:06,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:29:06,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:29:06,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:29:06,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:29:06,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:29:06,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:29:06,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:06,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:06,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:29:06,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:29:06,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:06,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:06,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:29:06,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:29:06,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:06,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:06,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:29:06,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:29:06,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:29:06,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:29:06,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:29:06,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:29:06,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:06,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:06,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:06,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:06,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:29:06,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:29:06,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:06,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:06,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:29:06,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:29:06,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:29:06,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:29:06,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:29:06,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:29:06,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:29:06,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:29:06,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:06,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:06,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:06,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:06,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:29:06,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:29:06,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:06,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:06,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:29:06,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:29:06,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:29:06,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:29:06,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:06,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:06,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:29:06,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:29:06,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:06,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:06,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:06,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:06,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:06,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:06,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:29:06,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:29:06,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:29:06,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:29:06,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:06,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:06,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:06,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:06,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:06,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:06,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:29:06,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:29:06,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:06,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:06,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:06,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:06,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:29:06,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:29:06,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:06,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:06,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:29:06,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:29:06,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:06,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:06,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:06,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:06,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:29:06,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:29:06,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:06,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:06,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:06,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:06,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:29:06,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:29:06,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:29:06,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:29:06,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:06,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:06,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:29:06,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:29:06,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:29:06,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:29:06,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:29:06,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:29:06,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:06,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:06,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:06,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:06,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:29:06,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:29:06,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:06,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:06,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:06,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:06,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:06,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:06,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:06,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:06,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:06,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:06,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:29:06,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:29:06,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:06,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:06,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:06,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:06,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:06,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:06,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:29:06,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:29:06,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:29:06,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:29:06,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:06,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:06,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:06,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:06,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:06,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:06,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:06,368   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:06,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:29:06,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:29:06,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:29:06,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:29:06,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:06,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:06,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:06,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:06,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:29:06,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:29:06,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:06,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:06,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:06,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:06,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:29:06,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:29:06,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:06,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:06,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:06,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:06,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:06,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:06,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:06,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:06,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:29:06,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:29:06,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:29:06,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:29:06,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:29:06,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:29:06,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:06,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:06,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:06,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:06,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:06,440   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:06,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:29:06,444   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:29:06,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:29:06,448   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:29:06,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:29:06,452   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:29:06,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:29:06,456   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:29:06,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:29:06,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:29:06,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:06,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:06,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:06,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:06,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:06,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:06,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:29:06,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:29:06,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:06,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:06,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:06,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:06,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:06,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:06,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:29:06,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:29:06,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:06,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:06,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:06,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:06,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:06,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:06,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:06,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:06,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:29:06,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:29:06,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:29:06,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:29:06,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:29:06,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:29:06,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:29:06,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:29:06,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:06,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:06,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:06,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:06,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:06,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:06,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:06,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:06,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:29:06,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:29:06,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:29:06,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:29:06,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:06,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:06,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:06,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:06,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:29:06,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:29:06,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:06,563   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:06,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:29:06,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:29:06,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:06,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:06,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:06,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:06,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:29:06,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:29:06,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:29:06,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:29:06,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:06,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:06,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:06,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:06,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:06,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:06,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:06,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:06,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:06,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:06,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:06,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:06,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:06,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:06,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:06,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:06,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:29:06,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:29:06,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:06,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:06,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:06,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:06,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:06,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:06,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:06,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:06,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:06,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:06,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:06,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:06,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:29:06,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:29:06,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:29:06,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:29:06,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:29:06,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:29:06,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:06,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:06,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:06,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:06,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:29:06,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:29:06,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:29:06,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:29:06,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:06,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:06,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:06,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:06,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:29:06,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:29:06,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:06,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:06,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:06,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:06,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:29:06,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:29:06,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:29:06,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:29:06,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:29:06,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:29:06,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:29:06,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:29:06,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:06,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:06,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:29:06,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:29:06,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:29:06,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:29:06,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:06,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:06,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:06,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:06,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:06,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:06,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:29:06,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:29:06,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:06,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:06,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:06,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:06,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:29:06,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:29:06,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:29:06,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:29:06,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:29:06,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:29:06,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:29:06,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:29:06,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59
2025-08-31T09:29:06,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:06,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:06,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:06,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:06,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:06,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:06,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:06,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:06,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:06,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:06,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:06,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:06,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:06,798   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:06,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:06,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:06,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:06,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:06,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:29:06,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:29:06,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:29:06,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:29:06,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:06,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:06,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:06,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:06,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:06,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:06,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:06,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:06,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:06,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:06,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:06,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:06,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:06,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:06,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:06,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:06,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:06,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:06,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:06,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:06,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:06,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:06,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:06,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:06,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:06,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:06,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:06,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:06,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:06,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:06,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:06,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:06,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:06,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:06,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:06,894   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:06,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:29:06,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:29:06,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:06,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:06,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:06,907   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:06,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:06,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:06,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:29:06,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:29:06,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:06,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:06,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:06,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:06,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:06,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:06,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:06,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:06,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:06,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:06,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:06,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:06,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:06,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:06,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:06,948   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:06,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:06,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:06,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:06,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:06,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:06,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:06,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:06,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:06,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:06,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:06,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:06,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:06,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:06,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:06,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:29:06,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:29:06,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:06,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:06,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:06,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:06,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:29:06,993   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:29:06,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:06,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:07,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:07,001   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:07,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:07,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:07,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:07,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:07,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:07,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:07,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:07,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:07,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:07,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:07,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:07,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:07,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:07,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:07,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:07,033   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:07,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:07,037   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:07,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:07,041   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:07,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:07,045   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:07,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:07,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:07,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:07,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:07,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:07,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:07,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:07,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:07,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:07,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:07,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:07,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:07,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:07,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:07,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:29:07,077   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:29:07,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:07,081   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:07,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:07,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:07,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:07,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:07,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:29:07,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:29:07,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:07,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:07,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:07,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:07,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:07,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:07,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:07,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:07,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:07,114   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:07,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:07,118   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:07,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:07,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:07,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:07,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:07,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:07,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:07,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:07,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:07,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:29:07,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:29:07,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:07,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:07,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:07,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:07,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:07,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:07,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:29:07,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:29:07,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:07,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:07,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:07,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:07,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:07,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:07,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:07,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:07,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:29:07,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:29:07,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:07,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:07,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:07,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:07,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:07,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:07,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:07,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:07,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:07,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:07,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:07,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:07,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:29:07,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:29:07,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF
2025-08-31T09:29:07,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:07,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:07,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:07,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:07,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:07,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:07,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:07,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:07,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:07,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:07,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:07,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:07,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:07,233   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:07,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:07,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:07,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:07,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:07,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:07,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:07,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:07,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:07,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:29:07,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:29:07,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:07,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:07,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:07,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:07,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:07,266   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:07,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:07,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:07,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:07,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:07,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:29:07,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:29:07,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC
2025-08-31T09:29:07,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:07,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:07,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:29:07,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:29:07,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:29:07,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:29:07,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:07,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:07,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:07,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:07,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:07,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:07,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:07,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:07,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:07,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:07,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:29:07,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:29:07,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:07,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:07,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:07,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:07,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:07,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:07,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:07,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:07,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:07,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:07,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:07,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:07,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:07,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:07,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:07,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:07,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:07,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:07,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:07,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:07,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:07,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:07,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:07,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:07,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:07,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:07,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:07,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:07,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:29:07,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:29:07,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:07,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:07,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:07,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:07,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:29:07,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:29:07,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:07,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:07,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:07,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:07,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:07,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:07,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:07,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:07,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:07,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:07,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:07,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:07,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:07,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:07,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:29:07,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:29:07,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:07,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:07,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:07,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:07,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:07,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:07,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:07,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:07,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:07,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:07,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:29:07,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:29:07,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:07,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:07,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:07,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:07,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:29:07,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:29:07,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:07,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:07,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:07,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:07,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:07,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:07,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:07,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:07,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:29:07,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:29:07,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:29:07,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:29:07,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:07,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:07,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:07,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:07,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:07,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:07,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:07,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:07,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:07,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:07,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:07,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:07,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:07,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:07,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:07,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:07,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:07,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:07,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:07,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:07,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:07,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:07,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:07,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:07,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:07,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:07,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:07,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:07,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:07,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:07,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:07,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:07,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:07,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:07,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:07,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:07,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:07,563   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:07,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:29:07,568   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:29:07,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:29:07,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:29:07,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:07,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:07,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:07,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:07,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:07,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:07,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:07,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:07,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:07,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:07,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:07,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:07,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:07,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:07,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:07,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:07,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:07,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:07,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:29:07,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:29:07,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:07,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:07,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:29:07,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:29:07,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:29:07,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:29:07,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:07,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:07,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:07,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:07,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC
2025-08-31T09:29:07,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:07,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:07,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:29:07,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:29:07,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:29:07,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:29:07,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:07,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:07,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:29:07,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:29:07,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:07,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:07,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:07,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:07,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:07,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:07,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:07,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:07,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:07,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:07,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:29:07,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:29:07,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:07,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:07,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:07,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:07,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:07,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:07,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:07,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:07,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:07,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:07,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:07,704   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:07,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:07,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:07,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:07,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:07,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:07,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:07,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:07,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:07,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6
2025-08-31T09:29:07,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:07,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:07,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:07,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:07,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:07,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:07,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:07,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:07,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:07,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:07,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:07,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:07,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:07,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:07,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:07,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:07,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:07,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:07,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:07,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:07,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:07,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:07,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:07,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:07,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP
2025-08-31T09:29:07,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:29:07,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:29:07,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:29:07,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:29:07,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:29:07,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:29:07,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:29:07,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:29:07,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:29:07,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:29:07,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:07,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:07,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:07,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:07,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:29:07,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:29:07,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:07,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:07,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:29:07,814   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:29:07,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:07,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:07,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:29:07,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:29:07,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:29:07,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:29:07,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL
2025-08-31T09:29:07,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:07,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:07,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:07,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:07,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:07,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:07,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:07,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:07,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:07,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:07,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:07,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:07,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:07,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:07,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:07,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:07,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:07,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:07,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:07,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:07,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:07,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:07,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:07,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:07,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:07,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:07,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:07,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:07,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:07,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:07,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:07,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:07,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:07,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:07,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:07,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:07,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:07,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:07,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:07,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:07,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:07,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:07,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:07,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:07,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:07,923   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:07,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:07,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:07,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:07,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:07,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:07,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:07,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:07,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:07,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:07,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:07,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:07,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:07,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:07,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:07,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:07,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:07,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:07,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:07,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:07,961   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:07,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:07,965   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:07,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:07,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:07,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:07,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:07,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:07,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:07,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:07,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:07,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:07,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:07,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:07,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:07,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:07,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:07,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:07,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:07,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:08,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:08,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:08,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:08,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:08,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:08,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:08,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:08,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:08,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:08,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:08,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:08,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:08,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:08,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:08,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:08,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:08,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:08,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:08,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:08,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:08,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:08,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:08,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:08,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:08,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:08,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:08,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:08,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:08,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:08,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:08,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:08,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:08,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:08,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:08,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:08,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:08,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:08,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:08,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:08,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:08,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:08,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:08,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:08,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:08,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:08,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10
2025-08-31T09:29:08,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:08,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:08,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:08,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:08,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:08,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:08,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:08,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:08,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:08,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:08,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:08,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:08,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:08,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:08,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:08,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:08,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:08,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:08,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:08,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:08,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:08,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:08,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:08,137   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:08,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:08,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:08,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:08,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:08,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:08,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:08,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:08,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:08,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:08,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:08,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:08,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:08,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:08,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:08,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:08,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:08,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4
2025-08-31T09:29:08,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:08,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:08,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:08,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:08,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:08,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:08,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:08,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:08,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:08,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:08,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:08,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:08,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:08,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:08,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:08,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:08,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:08,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:08,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:08,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:08,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:08,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:08,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:08,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:08,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:08,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:08,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:08,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:08,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:08,244   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:08,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:08,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:08,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:08,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:08,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:08,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:08,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:08,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:08,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:08,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:08,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:08,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:08,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:08,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:08,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:08,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:08,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:08,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:08,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:08,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:08,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:08,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:08,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:08,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:08,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:08,303   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:08,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:08,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:08,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:08,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:08,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:08,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:08,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:08,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:08,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:08,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:08,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:08,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:08,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:08,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:08,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:08,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:08,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:08,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:08,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:08,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:08,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:08,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:08,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:08,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:08,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:08,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:08,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:08,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:08,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:08,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:08,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:08,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:08,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:08,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:08,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:08,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:08,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:08,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:08,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:08,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:08,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:08,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:08,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:08,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:08,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:08,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:08,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:08,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:08,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:08,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:08,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:08,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:08,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:08,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:08,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:08,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:08,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:08,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:08,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:08,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:08,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:08,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:08,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:08,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:08,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:08,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:08,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:08,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:08,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:08,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:08,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:08,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:08,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:08,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:08,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:08,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:08,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:08,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:08,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:08,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:08,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:08,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:08,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:08,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:08,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:08,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:08,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:08,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:08,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:08,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:08,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:08,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:08,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:08,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:08,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:08,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:08,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:08,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:08,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:08,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:08,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:08,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:08,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:08,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:08,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:08,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:08,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:08,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:08,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:08,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:08,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:08,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:08,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:08,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:08,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:08,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:08,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:08,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:08,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:08,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:08,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:08,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:08,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:08,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:08,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:08,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:08,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:08,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:08,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:08,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:08,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:08,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:08,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:08,577   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:08,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:08,581   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:08,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:08,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:08,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:08,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:08,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:08,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:08,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:08,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:08,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23
2025-08-31T09:29:08,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:29:08,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:29:08,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:29:08,607   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:29:08,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:29:08,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:29:08,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:29:08,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:29:08,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:29:08,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:29:08,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:29:08,624   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:29:08,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:29:08,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:29:08,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:29:08,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:29:08,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:29:08,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:29:08,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:29:08,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:29:08,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:29:08,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:29:08,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:29:08,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:29:08,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:29:08,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:29:08,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:29:08,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:29:08,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:29:08,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:29:08,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:29:08,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:29:08,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:29:08,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:29:08,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:29:08,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:29:08,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:29:08,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:29:08,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:29:08,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:29:08,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:29:08,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:29:08,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:29:08,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:29:08,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:29:08,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:29:08,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:29:08,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:29:08,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF
2025-08-31T09:29:08,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:29:08,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:29:08,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:29:08,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:29:08,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:29:08,710   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:29:08,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:29:08,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:29:08,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:29:08,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:29:08,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:29:08,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:29:08,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:29:08,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:29:08,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:29:08,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:29:08,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:29:08,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:29:08,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:29:08,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:29:08,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:29:08,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:29:08,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:29:08,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:29:08,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:29:08,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:29:08,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:29:08,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:29:08,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:29:08,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:29:08,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:29:08,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:29:08,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:29:08,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:29:08,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:29:08,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:29:08,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:29:08,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:29:08,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:29:08,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:29:08,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:29:08,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:29:08,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:29:08,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:29:08,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:29:08,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:29:08,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:29:08,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:29:08,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:29:08,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:29:08,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:29:08,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:29:08,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:29:08,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:29:08,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:29:08,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:29:08,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:29:08,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:29:08,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:29:08,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:29:08,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:29:08,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:29:08,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:29:08,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:29:08,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:29:08,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:29:08,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:29:08,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:29:08,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:29:08,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:29:08,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:29:08,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:29:08,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:29:08,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:29:08,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:29:08,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:29:08,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:29:08,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:29:08,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:29:08,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:29:08,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:29:08,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:29:08,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:29:08,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:29:08,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:29:08,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:29:08,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:29:08,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:29:08,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:29:08,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:29:08,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:29:08,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:29:08,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:29:08,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:29:08,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:29:08,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:29:08,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:29:08,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:29:08,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:29:08,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:29:08,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:29:08,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:29:08,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:29:08,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:29:08,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21
2025-08-31T09:29:08,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:08,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:08,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:08,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:08,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:29:08,923   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:29:08,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:29:08,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:29:08,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:08,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:08,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:08,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:08,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:29:08,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:29:08,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:29:08,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:29:08,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:29:08,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:29:08,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:29:08,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:29:08,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:29:08,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:29:08,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:08,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:08,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:08,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:08,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:08,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:08,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:29:08,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:29:08,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:08,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:08,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:29:08,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:29:08,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:08,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:08,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:29:08,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:29:08,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:08,993   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:08,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:29:08,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:29:09,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA
2025-08-31T09:29:09,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:09,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:09,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:09,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:09,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:09,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:09,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:09,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:09,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:09,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:09,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:09,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:09,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:09,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:09,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:09,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:09,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:09,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:09,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:09,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:09,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:09,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:09,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:09,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:09,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:09,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:09,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:09,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:09,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:09,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:09,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:09,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:09,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:09,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:09,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:09,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:09,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:09,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:09,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:09,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:09,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:09,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:09,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:09,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:09,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:09,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:09,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:09,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:09,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:09,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:09,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:09,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:09,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:09,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:09,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:09,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:09,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:09,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:09,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:09,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:09,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:09,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:09,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:09,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:09,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:09,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:09,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:09,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:09,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:09,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:09,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:09,156   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:09,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:09,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:09,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:09,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:09,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:09,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:09,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:09,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:09,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:09,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:09,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:09,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:09,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:09,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:09,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:09,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:09,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:09,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:09,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:09,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:09,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:09,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:09,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:09,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:09,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:09,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:09,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:09,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:09,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24
2025-08-31T09:29:09,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:09,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:09,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:09,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:09,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:09,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:09,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:09,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:09,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:09,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:09,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:09,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:09,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:09,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:09,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:09,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:09,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:09,261   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:09,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:09,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:09,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:09,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:09,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:09,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:09,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:09,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:09,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:09,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:09,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:09,289   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:09,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:09,293   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:09,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:09,297   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:09,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:09,301   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:09,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:09,305   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:09,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:09,309   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:09,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:09,313   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:09,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:09,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:09,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:09,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:09,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:09,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:09,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:09,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:09,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:09,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:09,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:09,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:09,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:09,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:09,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:09,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:09,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:09,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:09,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:09,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:09,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:09,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:09,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:09,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:09,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:09,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:09,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:09,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:09,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:09,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:09,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:09,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:09,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:09,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:09,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:09,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:09,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:09,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:09,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:09,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:09,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:09,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:09,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:09,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:09,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:09,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:09,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:09,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:09,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:09,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:09,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:09,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:09,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:09,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:09,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16
2025-08-31T09:29:09,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES
2025-08-31T09:29:09,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18
2025-08-31T09:29:09,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:09,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:09,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:09,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:09,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:09,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:09,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:09,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:09,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:09,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:09,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:09,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:09,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:09,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:09,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:09,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:09,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:09,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:09,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:09,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:09,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:09,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:09,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:09,482   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:09,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:09,486   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:09,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:09,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:09,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:09,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:09,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:09,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:09,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:09,501   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:09,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:09,505   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:09,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:09,509   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:09,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:09,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:09,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:09,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:09,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:09,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:09,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:09,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:09,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:09,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:09,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:09,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:09,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:09,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:09,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:09,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:09,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:09,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:09,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:09,548   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:09,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11
2025-08-31T09:29:09,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:29:09,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:29:09,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:29:09,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:29:09,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:29:09,563   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:29:09,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:29:09,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:29:09,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:29:09,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:29:09,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:29:09,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:29:09,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:29:09,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:29:09,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:29:09,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:29:09,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:29:09,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:29:09,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:29:09,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:29:09,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:29:09,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:29:09,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:29:09,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:29:09,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:09,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:09,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:29:09,607   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:29:09,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:09,611   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:09,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:29:09,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:29:09,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:29:09,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:29:09,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:09,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:09,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:29:09,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:29:09,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:29:09,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:29:09,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:09,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:09,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:29:09,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:29:09,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:29:09,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:29:09,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:09,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:09,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:29:09,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:29:09,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:29:09,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:29:09,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:29:09,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:29:09,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:29:09,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:29:09,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:29:09,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:29:09,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:29:09,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:29:09,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:29:09,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:29:09,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:29:09,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:29:09,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:09,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:09,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:29:09,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:29:09,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:09,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:09,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:29:09,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:29:09,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:09,698   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:09,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:29:09,702   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:29:09,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:29:09,706   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:29:09,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:09,710   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:09,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:09,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:09,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:29:09,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:29:09,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:09,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:09,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:29:09,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:29:09,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:09,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:09,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:09,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:09,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:29:09,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:29:09,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:29:09,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:29:09,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:09,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:09,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:29:09,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:29:09,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:29:09,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:29:09,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:29:09,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:29:09,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:29:09,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:29:09,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:29:09,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:29:09,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:09,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:09,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:29:09,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:29:09,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:29:09,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:29:09,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:29:09,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:29:09,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:29:09,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:29:09,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:29:09,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:29:09,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:29:09,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:29:09,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:29:09,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:29:09,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:09,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:09,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:29:09,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:29:09,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:29:09,809   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:29:09,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:29:09,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:29:09,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:29:09,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:29:09,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:29:09,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:29:09,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:09,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:09,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:29:09,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:29:09,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:29:09,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:29:09,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:29:09,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:29:09,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:29:09,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:29:09,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:29:09,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:29:09,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:29:09,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:29:09,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:09,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:09,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:29:09,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:29:09,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:29:09,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:29:09,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:09,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:09,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:09,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:09,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:09,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:09,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:29:09,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:29:09,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:29:09,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:29:09,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:29:09,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:29:09,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:29:09,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:29:09,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:09,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:09,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:29:09,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:29:09,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:29:09,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:29:09,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:09,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:09,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:09,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:09,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:29:09,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:29:09,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:29:09,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:29:09,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:29:09,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:29:09,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:09,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:09,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:29:09,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:29:09,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:09,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:09,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:29:09,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:29:09,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:29:09,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:29:09,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:29:09,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:29:09,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:29:09,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:29:09,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:29:09,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:29:09,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:29:09,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:29:09,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:29:09,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:29:09,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:29:09,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:29:09,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:09,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:09,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:29:09,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:29:09,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:09,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:09,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:29:09,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:29:09,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:29:09,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:29:09,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:09,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:09,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:29:09,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:29:09,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:09,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:09,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:29:10,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:29:10,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:10,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:10,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:29:10,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:29:10,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:10,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:10,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:29:10,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:29:10,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:29:10,019   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:29:10,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:29:10,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:29:10,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:29:10,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:29:10,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:29:10,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:29:10,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:10,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:10,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:10,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:10,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:29:10,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:29:10,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:10,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:10,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:29:10,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:29:10,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:29:10,054   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:29:10,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:29:10,058   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:29:10,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:10,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:10,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:10,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:10,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:29:10,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:29:10,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:29:10,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:29:10,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:29:10,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:29:10,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:29:10,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:29:10,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:29:10,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:29:10,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:29:10,090   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:29:10,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:29:10,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:29:10,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:10,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:10,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:29:10,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:29:10,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:10,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:10,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:29:10,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:29:10,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:29:10,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:29:10,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:29:10,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:29:10,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:10,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:10,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:29:10,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:29:10,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:29:10,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:29:10,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:10,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:10,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:29:10,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:29:10,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:29:10,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:29:10,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:29:10,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:29:10,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:10,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:10,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:10,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:10,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20
2025-08-31T09:29:10,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:29:10,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:29:10,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:29:10,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:29:10,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:29:10,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:29:10,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:29:10,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:29:10,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:29:10,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:29:10,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:29:10,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:29:10,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:29:10,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:29:10,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:29:10,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:29:10,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:29:10,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:29:10,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:29:10,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:29:10,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:29:10,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:29:10,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:29:10,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:29:10,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:29:10,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:29:10,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:29:10,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:29:10,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:29:10,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:29:10,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:29:10,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:29:10,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:29:10,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:29:10,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:29:10,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:29:10,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:29:10,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:29:10,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:29:10,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:29:10,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:29:10,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:29:10,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:29:10,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:29:10,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:29:10,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:29:10,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:29:10,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:29:10,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:29:10,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:29:10,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:29:10,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:29:10,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:29:10,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:29:10,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:29:10,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:29:10,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:29:10,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:29:10,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:29:10,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:29:10,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:29:10,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:29:10,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:29:10,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:29:10,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:29:10,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:29:10,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:29:10,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:29:10,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:29:10,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:29:10,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:29:10,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:29:10,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI
2025-08-31T09:29:10,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:29:10,307   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:29:10,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:10,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:10,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:10,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:10,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:10,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:10,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:29:10,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:29:10,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:10,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:10,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:10,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:10,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:10,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:10,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:10,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:10,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:10,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:10,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:29:10,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:29:10,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:10,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:10,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:10,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:10,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:10,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:10,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:10,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:10,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:10,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:10,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:10,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:10,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:10,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:10,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:10,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:10,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:10,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:10,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:10,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:10,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:10,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:10,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:10,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:10,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:10,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:10,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:10,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:10,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:10,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:10,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:10,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:10,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:10,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:10,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:10,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:10,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:10,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:10,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:10,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:10,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:10,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:10,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:10,437   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:10,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:10,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:10,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:10,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:10,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:29:10,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:29:10,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:10,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:10,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:10,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:10,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:10,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:10,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:29:10,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:29:10,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:29:10,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:29:10,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:10,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:10,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:10,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:10,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:10,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:10,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:10,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:10,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:10,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:10,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:10,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:10,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:10,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:10,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:10,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:10,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:10,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:10,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:10,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:10,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:10,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:10,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:10,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:10,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:10,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:10,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:10,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:10,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:10,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:10,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:10,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:10,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:10,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:10,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:29:10,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:29:10,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:10,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:10,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:29:10,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:29:10,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC
2025-08-31T09:29:10,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:29:10,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:29:10,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:29:10,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:29:10,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:29:10,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:29:10,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:29:10,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:29:10,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:29:10,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:29:10,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:29:10,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:29:10,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:29:10,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:29:10,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:29:10,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:29:10,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:29:10,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:29:10,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:29:10,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:29:10,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:29:10,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:29:10,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:29:10,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:29:10,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:29:10,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:29:10,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:10,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:10,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:29:10,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:29:10,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:29:10,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:29:10,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:29:10,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:29:10,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:10,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:10,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:29:10,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:29:10,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:29:10,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:29:10,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:29:10,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:29:10,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:29:10,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:29:10,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13
2025-08-31T09:29:10,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:29:10,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:29:10,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:10,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:10,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:10,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:10,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:10,666   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:10,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:10,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:10,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:10,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:10,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:10,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:10,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:10,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:10,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:10,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:10,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:29:10,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:29:10,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:29:10,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:29:10,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:10,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:10,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:10,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:10,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:29:10,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:29:10,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:10,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:10,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:10,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:10,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:29:10,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:29:10,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:10,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:10,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:10,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:10,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:10,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:10,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:10,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:10,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:10,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:10,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:10,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:10,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:29:10,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:29:10,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:29:10,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:29:10,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:10,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:10,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:10,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:10,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:29:10,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:29:10,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:10,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:10,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6
2025-08-31T09:29:10,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:29:10,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:29:10,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:29:10,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:29:10,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:29:10,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:29:10,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:29:10,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:29:10,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:29:10,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:29:10,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:29:10,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:29:10,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:29:10,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:29:10,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:29:10,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:29:10,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:29:10,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:29:10,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:29:10,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:29:10,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:29:10,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:29:10,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:29:10,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:29:10,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:29:10,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:29:10,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:29:10,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:29:10,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:29:10,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:29:10,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:29:10,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:29:10,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:29:10,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:29:10,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:29:10,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:29:10,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15
2025-08-31T09:29:10,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:29:10,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:29:10,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:29:10,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:29:10,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:29:10,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:29:10,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:29:10,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:29:10,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:29:10,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:29:10,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:29:10,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:29:10,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:29:10,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:29:10,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:29:10,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:29:10,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:29:10,882   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:29:10,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:29:10,886   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:29:10,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:29:10,890   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:29:10,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:29:10,894   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:29:10,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:29:10,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:29:10,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:29:10,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:29:10,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:29:10,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:29:10,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:29:10,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:29:10,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:29:10,914   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:29:10,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:29:10,918   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:29:10,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:29:10,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:29:10,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:29:10,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:29:10,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:29:10,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:29:10,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:29:10,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:29:10,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:29:10,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:29:10,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:29:10,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:29:10,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:29:10,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:29:10,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF
2025-08-31T09:29:10,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:10,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:10,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:10,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:10,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:10,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:10,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:10,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:10,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:10,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:10,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:10,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:10,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:10,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:10,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:10,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:10,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:10,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:10,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:10,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:10,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:10,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:10,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:10,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:11,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:11,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:11,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:11,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:11,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:11,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:11,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:11,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:11,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:11,019   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:11,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:11,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:11,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:11,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:11,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:11,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:11,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:11,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:11,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:11,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:11,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:11,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:11,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:11,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:11,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:11,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:11,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:11,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:11,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:11,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:11,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21
2025-08-31T09:29:11,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:29:11,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:29:11,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:29:11,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:29:11,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:29:11,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:29:11,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:29:11,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:29:11,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:29:11,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:29:11,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:29:11,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:29:11,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:29:11,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:29:11,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:29:11,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:29:11,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:29:11,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:29:11,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:29:11,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:29:11,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:29:11,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:29:11,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:29:11,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:29:11,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:29:11,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:29:11,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:29:11,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:29:11,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:29:11,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:29:11,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:29:11,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:29:11,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:29:11,131   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:29:11,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:29:11,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:29:11,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:29:11,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:29:11,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:29:11,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:29:11,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:29:11,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:29:11,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:29:11,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:29:11,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:29:11,156   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:29:11,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:29:11,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:29:11,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:29:11,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:29:11,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:29:11,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:29:11,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:29:11,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:29:11,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:29:11,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:29:11,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:29:11,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:29:11,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:29:11,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:29:11,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:29:11,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:29:11,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:29:11,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:29:11,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:29:11,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:29:11,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:29:11,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:29:11,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:29:11,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:29:11,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:29:11,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:29:11,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:29:11,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:29:11,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:29:11,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:29:11,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:29:11,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:29:11,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:29:11,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:29:11,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:29:11,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:29:11,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27
2025-08-31T09:29:11,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:11,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:11,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:11,240   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:11,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:11,244   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:11,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:11,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:11,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:11,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:11,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:11,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:11,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:11,261   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:11,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:11,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:11,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:29:11,269   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:29:11,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:11,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:11,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:11,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:11,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:11,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:11,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:11,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:11,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:11,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:11,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:11,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:11,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:11,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:11,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:11,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:11,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:11,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:11,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:11,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:11,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:11,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:11,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:11,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:11,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:11,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:11,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:11,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:11,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:29:11,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:29:11,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:11,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:11,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:11,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:11,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:11,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:11,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:11,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:11,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:11,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:11,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:11,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:11,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10
2025-08-31T09:29:11,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:11,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:11,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:11,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:11,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:11,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:11,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:11,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:11,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:11,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:11,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:11,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:11,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:11,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:11,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:11,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:11,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:11,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:11,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:11,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:11,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:11,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:11,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:11,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:11,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:11,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:11,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:11,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:11,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:11,419   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:11,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:11,423   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:11,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:11,427   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:11,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:11,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:11,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:11,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:11,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:11,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:11,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36
2025-08-31T09:29:11,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:29:11,448   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:29:11,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:29:11,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:29:11,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:29:11,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:29:11,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:29:11,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:29:11,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:11,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:11,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:29:11,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:29:11,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:29:11,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:29:11,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:29:11,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:29:11,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:29:11,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:29:11,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:29:11,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:29:11,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:29:11,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:29:11,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:29:11,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:29:11,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:29:11,501   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:29:11,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:29:11,505   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:29:11,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:29:11,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:29:11,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:29:11,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:29:11,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:29:11,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:29:11,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:29:11,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:29:11,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:29:11,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:29:11,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:29:11,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:29:11,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:29:11,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:29:11,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:29:11,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:29:11,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:29:11,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:29:11,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:29:11,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:29:11,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:29:11,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:29:11,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:29:11,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:29:11,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:29:11,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:29:11,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:29:11,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:29:11,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:29:11,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:29:11,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:29:11,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:29:11,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:29:11,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:29:11,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:29:11,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:29:11,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:29:11,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:29:11,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:29:11,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:29:11,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:29:11,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:29:11,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:29:11,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:29:11,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:29:11,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:29:11,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:29:11,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:29:11,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24
2025-08-31T09:29:11,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:11,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:11,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:11,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:11,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:29:11,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:29:11,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:29:11,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:29:11,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:11,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:11,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:11,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:11,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:11,634   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:11,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:11,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:11,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:11,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:11,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:29:11,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:29:11,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:11,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:11,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:11,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:11,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:11,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:11,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:11,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:11,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:11,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:11,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:11,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:11,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:11,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:11,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:11,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:11,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:11,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:11,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:11,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:11,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:29:11,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:29:11,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:11,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:11,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:11,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:11,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:11,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:11,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:11,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:11,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:11,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:11,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:11,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:11,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:11,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:11,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:29:11,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:29:11,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:11,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:11,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:11,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:11,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:29:11,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:29:11,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:11,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:11,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:11,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:11,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:11,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:11,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:29:11,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:29:11,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:11,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:11,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:11,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:11,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:11,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:11,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:11,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:11,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:29:11,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:29:11,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:29:11,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:29:11,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:11,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:11,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:11,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:11,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:29:11,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:29:11,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:11,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:11,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:11,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:11,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:11,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:11,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43
2025-08-31T09:29:11,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:29:11,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:29:11,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:11,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:11,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:11,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:11,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:29:11,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:29:11,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:29:11,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:29:11,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:29:11,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:29:11,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:11,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:11,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:29:11,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:29:11,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:29:11,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:29:11,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:29:11,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:29:11,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:29:11,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:29:11,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:29:11,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:29:11,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:29:11,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:29:11,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:29:11,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:29:11,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:29:11,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:29:11,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:29:11,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:29:11,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:11,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:11,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:11,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:11,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:29:11,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:29:11,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:29:11,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:29:11,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:29:11,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:29:11,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:29:11,895   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:29:11,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:29:11,899   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:29:11,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:29:11,903   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:29:11,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:29:11,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:29:11,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:29:11,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:29:11,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:29:11,914   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:29:11,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:29:11,918   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:29:11,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:29:11,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:29:11,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:29:11,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:29:11,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:29:11,931   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:29:11,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:29:11,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:29:11,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:29:11,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:29:11,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:29:11,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:29:11,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:29:11,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:29:11,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:29:11,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:29:11,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:29:11,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:29:11,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:29:11,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:29:11,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:29:11,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:29:11,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:29:11,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:29:11,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:29:11,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:29:11,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:29:11,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:29:11,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:29:11,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:29:11,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:11,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:11,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:11,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:11,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:11,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:11,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:11,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:11,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:29:12,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:29:12,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:29:12,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:29:12,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:29:12,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:29:12,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:29:12,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:29:12,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:29:12,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:29:12,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:29:12,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:29:12,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:29:12,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:29:12,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:29:12,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:29:12,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:29:12,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:29:12,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:29:12,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:29:12,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:29:12,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:29:12,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43
2025-08-31T09:29:12,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:29:12,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:29:12,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:29:12,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:29:12,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:29:12,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:29:12,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:29:12,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:29:12,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:29:12,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:29:12,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:29:12,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:29:12,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:29:12,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:29:12,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:29:12,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:29:12,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:29:12,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:29:12,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:29:12,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:29:12,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:29:12,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:29:12,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:29:12,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:29:12,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:29:12,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:29:12,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:29:12,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:29:12,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:29:12,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:29:12,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:29:12,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:29:12,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:29:12,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:29:12,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:29:12,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:29:12,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:29:12,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:29:12,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:29:12,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:29:12,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:29:12,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:29:12,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:29:12,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:29:12,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:29:12,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:29:12,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:29:12,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:29:12,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:29:12,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:29:12,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:29:12,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:29:12,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:29:12,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:29:12,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:29:12,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:29:12,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:29:12,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:29:12,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:29:12,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:29:12,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:29:12,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:29:12,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:29:12,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:29:12,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:29:12,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:29:12,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:29:12,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:29:12,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:29:12,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:29:12,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:29:12,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:29:12,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:29:12,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:29:12,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:29:12,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:29:12,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:29:12,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:29:12,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:29:12,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:29:12,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:29:12,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:29:12,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:29:12,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:29:12,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:29:12,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:29:12,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:29:12,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:29:12,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:29:12,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:29:12,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:29:12,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:29:12,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:29:12,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:29:12,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:29:12,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:29:12,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:29:12,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:29:12,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:29:12,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:29:12,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:29:12,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:29:12,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:29:12,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:29:12,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:29:12,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:29:12,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:29:12,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:29:12,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:29:12,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:29:12,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:29:12,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:29:12,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:29:12,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:29:12,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:29:12,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:29:12,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:29:12,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:29:12,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:29:12,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:29:12,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:29:12,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:29:12,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:29:12,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:29:12,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:29:12,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:29:12,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:29:12,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:29:12,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:29:12,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:29:12,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:29:12,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:29:12,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:29:12,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:29:12,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:29:12,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:29:12,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:29:12,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:29:12,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:29:12,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:29:12,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:29:12,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:29:12,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:29:12,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:29:12,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:29:12,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:29:12,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:29:12,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:29:12,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:29:12,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:29:12,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:29:12,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:29:12,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:29:12,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:29:12,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:29:12,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:29:12,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:29:12,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:29:12,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:29:12,368   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:29:12,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:29:12,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:29:12,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:29:12,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:29:12,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:29:12,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:29:12,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:29:12,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:29:12,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:29:12,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:29:12,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:29:12,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:29:12,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:29:12,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:29:12,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:29:12,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:29:12,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18
2025-08-31T09:29:12,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:29:12,407   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:29:12,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:29:12,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:29:12,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:29:12,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:29:12,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:29:12,419   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:29:12,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:12,423   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:12,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:29:12,427   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:29:12,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:29:12,431   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:29:12,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:29:12,435   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:29:12,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:29:12,439   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:29:12,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:29:12,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:29:12,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:12,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:12,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:29:12,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:29:12,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:29:12,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:29:12,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:29:12,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:29:12,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:29:12,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:29:12,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:29:12,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:29:12,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:29:12,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:29:12,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:29:12,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:29:12,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:29:12,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:29:12,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:12,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:12,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:29:12,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:29:12,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:29:12,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:29:12,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:12,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:12,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:29:12,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:29:12,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:29:12,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:29:12,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8
2025-08-31T09:29:12,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:12,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:12,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:29:12,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:29:12,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:12,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:12,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:12,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:12,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:12,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:12,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:29:12,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:29:12,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:12,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:12,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:12,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:12,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:29:12,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:29:12,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:29:12,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:29:12,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:12,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:12,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:29:12,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:29:12,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:29:12,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:29:12,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:29:12,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:29:12,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:29:12,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:29:12,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:12,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:12,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:12,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:12,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF
2025-08-31T09:29:12,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:29:12,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:29:12,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:29:12,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:29:12,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:29:12,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:29:12,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:29:12,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:29:12,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:29:12,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:29:12,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:29:12,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:29:12,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:29:12,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:29:12,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:29:12,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:29:12,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:29:12,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:29:12,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:29:12,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:29:12,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:29:12,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:29:12,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:29:12,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:29:12,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:29:12,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:29:12,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:29:12,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:29:12,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:29:12,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:29:12,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:29:12,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:29:12,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:29:12,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:29:12,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:29:12,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:29:12,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:29:12,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:29:12,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16
2025-08-31T09:29:12,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:29:12,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:29:12,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:29:12,666   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:29:12,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:29:12,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:29:12,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:29:12,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:29:12,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:29:12,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:29:12,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:29:12,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:29:12,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:29:12,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:29:12,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:29:12,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:29:12,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:29:12,706   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:29:12,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:29:12,710   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:29:12,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:29:12,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:29:12,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:29:12,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:29:12,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:29:12,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:29:12,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:29:12,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:29:12,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:29:12,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:29:12,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:29:12,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:29:12,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:29:12,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:29:12,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:29:12,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:29:12,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:29:12,748   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:29:12,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:29:12,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:29:12,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:29:12,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:29:12,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:29:12,761   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:29:12,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:29:12,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:29:12,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:29:12,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:29:12,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:29:12,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:29:12,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:29:12,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:29:12,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:29:12,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:29:12,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:29:12,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:29:12,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:29:12,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:29:12,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:29:12,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:29:12,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:29:12,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:29:12,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:29:12,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:29:12,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:29:12,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:29:12,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:29:12,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:29:12,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:29:12,814   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:29:12,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:29:12,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:29:12,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:29:12,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:29:12,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:29:12,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:29:12,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:29:12,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:29:12,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:29:12,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:29:12,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:29:12,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:29:12,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:29:12,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:29:12,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:29:12,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:29:12,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:29:12,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:29:12,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:29:12,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:29:12,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:29:12,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:29:12,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:29:12,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:29:12,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:29:12,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:29:12,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21
2025-08-31T09:29:12,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:29:12,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:29:12,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:29:12,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:29:12,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:29:12,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:29:12,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:29:12,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:29:12,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:29:12,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:29:12,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:29:12,895   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:29:12,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:29:12,899   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:29:12,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:29:12,903   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:29:12,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:29:12,907   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:29:12,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:29:12,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:29:12,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:29:12,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:29:12,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:29:12,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:29:12,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:29:12,923   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:29:12,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:29:12,927   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:29:12,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:29:12,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:29:12,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:29:12,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:29:12,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:29:12,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:29:12,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:29:12,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:29:12,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:29:12,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:29:12,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:29:12,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:29:12,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:29:12,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:29:12,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:29:12,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:29:12,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:29:12,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:29:12,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:29:12,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:29:12,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:29:12,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:29:12,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:29:12,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:29:12,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:29:12,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:29:12,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:29:12,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:29:12,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:29:12,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:29:12,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:29:12,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:29:12,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:29:12,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:29:12,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:29:12,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:29:13,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:29:13,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:29:13,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:29:13,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:29:13,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:29:13,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:29:13,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:29:13,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:29:13,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:29:13,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:29:13,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:29:13,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:29:13,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:29:13,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:29:13,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:29:13,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:29:13,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:29:13,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:29:13,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:29:13,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:29:13,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:29:13,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:29:13,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:29:13,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:29:13,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:29:13,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:29:13,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:29:13,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:29:13,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:29:13,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:29:13,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:29:13,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:29:13,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:29:13,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:29:13,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:29:13,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:29:13,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:29:13,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:29:13,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:29:13,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:29:13,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:29:13,083   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:29:13,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:29:13,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:29:13,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:29:13,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:29:13,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:29:13,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:29:13,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:29:13,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:29:13,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:29:13,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:29:13,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:29:13,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:29:13,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:29:13,110   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:29:13,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:29:13,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:29:13,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:29:13,118   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:29:13,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:29:13,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:29:13,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12
2025-08-31T09:29:13,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:13,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:13,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:13,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:13,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:13,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:13,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:13,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:13,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:13,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:13,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:13,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:13,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:13,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:13,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:13,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:13,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:13,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:13,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:13,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:13,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:13,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:13,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:13,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:13,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:13,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:13,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:13,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:13,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:13,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:13,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:13,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:13,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:13,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:13,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:13,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:13,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:13,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:13,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:13,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:13,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:13,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:13,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:13,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:13,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:13,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:13,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:13,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:13,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:13,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:13,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:13,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:13,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:13,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:13,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:13,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:13,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:13,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:13,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:13,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:13,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:13,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:13,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:13,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:13,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:13,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:13,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:13,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:13,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:13,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:13,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:13,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:13,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11
2025-08-31T09:29:13,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:13,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:13,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:13,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:13,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:13,281   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:13,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:13,285   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:13,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:13,289   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:13,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:13,293   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:13,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:13,297   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:13,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:13,301   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:13,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:13,305   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:13,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:13,309   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:13,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:13,313   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:13,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:13,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:13,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:13,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:13,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:13,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:13,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:13,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:13,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:13,333   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:13,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:13,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:13,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:13,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:13,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:13,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:13,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:13,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:13,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:13,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:13,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:13,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:13,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66
2025-08-31T09:29:13,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:29:13,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:29:13,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:29:13,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:29:13,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:29:13,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:29:13,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:29:13,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:29:13,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:29:13,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:29:13,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:29:13,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:29:13,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:29:13,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:29:13,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:29:13,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:29:13,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:29:13,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:29:13,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:29:13,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:29:13,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:29:13,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:29:13,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:29:13,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:29:13,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:29:13,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:29:13,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:29:13,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:29:13,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:29:13,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:29:13,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:29:13,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:29:13,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:29:13,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:29:13,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:29:13,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:29:13,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:29:13,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:29:13,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:29:13,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:29:13,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:29:13,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:29:13,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:29:13,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:29:13,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:29:13,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:29:13,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:29:13,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:29:13,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:29:13,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:29:13,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:29:13,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:29:13,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:29:13,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:29:13,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:29:13,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:29:13,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:29:13,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:29:13,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:29:13,482   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:29:13,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:29:13,486   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:29:13,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:29:13,490   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:29:13,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:29:13,494   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:29:13,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:29:13,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:29:13,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:29:13,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:29:13,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:29:13,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:29:13,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:29:13,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:29:13,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:29:13,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:29:13,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:29:13,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:29:13,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:29:13,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:29:13,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:29:13,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:29:13,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:29:13,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:29:13,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:29:13,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:29:13,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:29:13,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:29:13,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:29:13,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:29:13,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:29:13,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:29:13,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:29:13,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:29:13,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:29:13,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:29:13,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:29:13,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:29:13,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:29:13,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:29:13,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:29:13,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:29:13,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:29:13,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:29:13,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:29:13,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:29:13,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:29:13,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:29:13,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:29:13,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:29:13,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:29:13,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:29:13,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:29:13,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:29:13,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:29:13,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:29:13,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:29:13,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:29:13,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:29:13,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:29:13,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:29:13,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:29:13,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:29:13,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:29:13,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:29:13,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:29:13,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:29:13,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:29:13,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:29:13,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:29:13,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:29:13,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:29:13,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:29:13,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:29:13,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:29:13,634   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:29:13,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:29:13,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:29:13,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:29:13,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:29:13,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:29:13,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:29:13,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:29:13,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:29:13,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:29:13,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:29:13,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:29:13,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:29:13,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:29:13,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:29:13,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:29:13,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:29:13,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:29:13,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:29:13,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:29:13,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:29:13,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:29:13,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:29:13,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:29:13,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:29:13,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:29:13,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:29:13,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:29:13,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:29:13,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:29:13,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:29:13,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:29:13,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:29:13,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:29:13,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:29:13,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:29:13,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:29:13,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:29:13,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:29:13,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:29:13,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:29:13,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:29:13,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:29:13,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:29:13,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:29:13,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:29:13,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:29:13,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:29:13,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:29:13,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:29:13,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:29:13,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:29:13,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:29:13,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:29:13,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:29:13,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:29:13,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:29:13,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:29:13,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:29:13,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:29:13,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:29:13,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:29:13,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:29:13,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:29:13,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:29:13,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:29:13,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:29:13,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:29:13,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:29:13,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:29:13,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:29:13,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:29:13,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:29:13,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:29:13,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:29:13,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:29:13,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:29:13,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:29:13,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:29:13,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:29:13,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:29:13,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:29:13,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:29:13,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:29:13,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:29:13,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:29:13,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:29:13,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:29:13,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:29:13,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:29:13,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:29:13,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:29:13,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:29:13,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:29:13,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:29:13,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:29:13,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:29:13,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:29:13,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:29:13,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:29:13,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:29:13,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:29:13,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:29:13,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:29:13,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:29:13,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:29:13,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:29:13,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:29:13,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:29:13,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:29:13,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:29:13,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:29:13,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:29:13,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:29:13,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:29:13,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:29:13,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:29:13,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:29:13,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:29:13,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:29:13,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:29:13,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:29:13,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:29:13,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:29:13,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:29:13,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:29:13,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:29:13,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:29:13,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:29:13,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:29:13,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:29:13,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:29:13,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:29:13,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:29:13,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:29:13,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:29:13,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:29:13,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:29:13,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:29:13,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:29:13,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:29:13,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:29:13,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:29:13,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:29:13,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:29:13,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:29:13,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:29:13,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:29:13,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:29:13,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:29:13,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:29:13,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:29:13,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:29:13,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:29:13,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:29:13,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:29:13,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:29:13,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:29:13,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:29:13,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:29:13,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:29:13,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:29:13,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:29:13,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:29:13,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:29:13,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:29:13,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:29:13,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:29:13,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:29:13,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:29:13,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:29:13,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:29:13,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:29:13,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:29:13,982   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:29:13,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:29:13,986   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:29:13,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:29:13,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:29:13,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:29:13,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:29:13,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:29:13,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:29:14,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:29:14,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:29:14,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:29:14,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:29:14,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:29:14,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:29:14,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:29:14,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:29:14,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:29:14,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:29:14,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:29:14,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:29:14,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:29:14,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:29:14,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:29:14,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:29:14,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:29:14,037   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:29:14,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:29:14,041   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:29:14,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:29:14,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:29:14,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:29:14,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:29:14,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:29:14,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:29:14,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:29:14,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:29:14,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:29:14,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:29:14,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:29:14,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:29:14,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:29:14,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:29:14,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:29:14,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:29:14,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:29:14,077   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:29:14,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:29:14,081   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:29:14,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:29:14,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:29:14,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:29:14,090   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:29:14,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:29:14,094   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:29:14,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:29:14,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:29:14,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:29:14,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:29:14,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:29:14,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:29:14,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:29:14,110   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:29:14,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:29:14,114   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:29:14,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:29:14,118   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:29:14,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:29:14,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:29:14,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:29:14,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:29:14,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:29:14,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:29:14,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:29:14,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:29:14,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:29:14,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:29:14,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:29:14,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:29:14,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:29:14,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:29:14,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:29:14,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:29:14,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:29:14,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:29:14,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:29:14,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:29:14,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76
2025-08-31T09:29:14,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:14,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:14,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:29:14,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:29:14,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:29:14,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:29:14,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:29:14,176   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:29:14,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:29:14,180   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:29:14,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:29:14,184   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:29:14,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:29:14,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:29:14,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:29:14,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:29:14,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:29:14,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:29:14,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:29:14,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:29:14,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:14,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:14,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:29:14,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:29:14,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:29:14,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:29:14,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:29:14,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:29:14,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:29:14,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:29:14,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:29:14,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:29:14,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:29:14,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:29:14,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:14,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:14,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:14,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:14,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:14,240   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:14,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:29:14,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:29:14,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:14,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:14,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:14,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:14,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:29:14,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:29:14,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:14,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:14,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:29:14,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:29:14,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:29:14,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:29:14,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:29:14,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:29:14,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:29:14,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:29:14,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:14,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:14,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:29:14,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:29:14,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:29:14,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:29:14,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:14,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:14,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:29:14,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:29:14,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:29:14,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:29:14,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:29:14,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:29:14,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:29:14,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:29:14,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:14,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:14,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:29:14,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:29:14,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:29:14,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:29:14,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:29:14,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:29:14,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:29:14,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:29:14,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:29:14,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:29:14,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:29:14,333   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:29:14,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:14,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:14,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:29:14,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:29:14,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:29:14,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:29:14,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:29:14,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:29:14,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:29:14,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:29:14,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:29:14,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:29:14,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:29:14,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:29:14,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:29:14,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:29:14,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:29:14,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:29:14,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:29:14,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:29:14,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:29:14,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:29:14,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:14,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:14,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:29:14,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:29:14,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:29:14,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:29:14,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:14,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:14,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:29:14,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:29:14,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:29:14,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:29:14,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:14,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:14,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:29:14,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:29:14,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:29:14,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:29:14,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:29:14,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:29:14,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:29:14,419   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:29:14,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:29:14,423   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:29:14,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:29:14,427   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:29:14,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:14,431   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:14,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:29:14,435   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:29:14,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:29:14,439   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:29:14,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:29:14,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:29:14,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:29:14,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:29:14,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:29:14,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:29:14,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:14,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:14,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:29:14,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:29:14,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:14,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:14,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:14,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:14,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:29:14,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:29:14,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:14,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:14,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:29:14,477   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:29:14,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:14,481   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:14,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:29:14,485   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:29:14,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:29:14,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:29:14,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:29:14,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:29:14,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:29:14,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:29:14,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel
2025-08-31T09:29:14,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:14,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:14,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:29:14,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:29:14,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:14,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:14,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:29:14,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:29:14,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:29:14,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:29:14,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:29:14,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:29:14,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:14,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:14,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:14,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:14,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:29:14,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:29:14,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:29:14,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:29:14,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:14,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:14,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:29:14,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:29:14,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:29:14,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:29:14,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:14,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:14,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:14,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:14,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:29:14,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:29:14,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:29:14,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:29:14,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:29:14,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:29:14,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:14,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:14,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:14,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:14,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:29:14,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:29:14,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:14,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:14,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:29:14,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:29:14,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:14,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:14,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:14,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:14,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:29:14,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:29:14,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:29:14,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:29:14,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:29:14,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:29:14,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:29:14,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:29:14,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:29:14,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:29:14,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:29:14,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:29:14,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4
2025-08-31T09:29:14,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:29:14,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:29:14,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:14,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:14,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:14,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:14,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:14,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:14,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:14,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:14,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:14,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:14,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:14,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:14,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:14,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:14,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:14,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:14,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:14,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:14,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:14,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:14,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:14,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:14,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:14,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:14,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:14,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:14,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:14,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:14,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:14,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:14,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:14,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:14,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:14,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:14,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:14,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:14,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:14,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:14,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:14,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:14,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:14,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:14,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:29:14,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:29:14,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22
2025-08-31T09:29:14,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:29:14,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:29:14,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:29:14,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:29:14,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:29:14,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:29:14,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:29:14,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:29:14,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:29:14,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:29:14,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:29:14,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:29:14,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:29:14,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:29:14,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:29:14,748   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:29:14,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:29:14,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:29:14,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:29:14,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:29:14,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:29:14,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:29:14,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:29:14,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:29:14,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:29:14,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:29:14,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:29:14,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:29:14,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:29:14,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:29:14,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:29:14,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:29:14,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:29:14,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:29:14,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:29:14,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:29:14,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:29:14,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:29:14,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:29:14,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:29:14,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:29:14,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:29:14,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:29:14,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:29:14,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:29:14,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:29:14,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:29:14,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:29:14,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:29:14,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:29:14,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:29:14,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:29:14,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:29:14,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:29:14,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:29:14,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:29:14,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:29:14,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:29:14,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:29:14,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:29:14,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:29:14,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:29:14,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:29:14,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:29:14,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:29:14,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:29:14,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:29:14,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:29:14,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:29:14,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:29:14,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:29:14,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:29:14,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:29:14,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:29:14,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:29:14,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:29:14,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:29:14,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:29:14,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:29:14,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:29:14,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:29:14,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:29:14,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:29:14,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:29:14,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:29:14,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:29:14,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:29:14,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:29:14,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:29:14,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:29:14,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:29:14,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:29:14,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:29:14,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:29:14,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:29:14,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:29:14,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:29:14,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:29:14,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:29:14,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:29:14,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:29:14,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:29:14,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:29:14,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:29:14,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:29:14,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:29:14,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:29:14,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:29:14,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:29:14,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:29:14,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:29:14,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:29:14,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:29:14,948   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:29:14,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18
2025-08-31T09:29:14,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:14,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:14,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:14,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:14,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:14,965   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:14,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:14,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:14,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:14,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:14,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:14,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:14,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:14,985   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:14,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:14,989   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:14,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:14,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:14,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:15,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:15,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:15,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:15,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:15,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:15,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:15,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:15,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:15,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:15,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:15,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:15,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:15,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:15,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:15,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:15,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:15,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:15,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:15,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:15,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:15,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:15,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:15,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:15,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:15,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:15,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:15,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:15,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:15,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:15,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:15,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:15,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:15,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:15,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:15,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:15,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:15,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:15,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC
2025-08-31T09:29:15,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:29:15,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:29:15,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:29:15,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:29:15,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:29:15,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:29:15,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:29:15,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:29:15,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:29:15,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:29:15,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:29:15,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:29:15,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:29:15,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:29:15,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:29:15,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:29:15,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:29:15,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:29:15,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:29:15,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:29:15,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:29:15,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:29:15,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:29:15,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:29:15,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:29:15,131   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:29:15,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:29:15,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:29:15,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:29:15,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:29:15,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:29:15,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:29:15,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:29:15,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:29:15,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:29:15,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:29:15,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:29:15,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:29:15,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:29:15,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:29:15,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:29:15,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:29:15,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:29:15,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:29:15,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:29:15,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:29:15,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:29:15,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:29:15,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:29:15,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:29:15,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:29:15,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:29:15,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:29:15,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:29:15,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:29:15,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:29:15,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:29:15,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:29:15,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:29:15,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:29:15,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:29:15,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:29:15,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:29:15,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:29:15,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:29:15,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:29:15,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:29:15,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:29:15,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:29:15,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:29:15,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:29:15,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:29:15,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:29:15,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:29:15,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:29:15,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:29:15,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:29:15,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:29:15,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:29:15,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:29:15,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:29:15,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:29:15,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:29:15,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:29:15,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:29:15,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:29:15,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:29:15,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:29:15,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:29:15,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:29:15,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:29:15,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:29:15,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:29:15,266   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:29:15,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26
2025-08-31T09:29:15,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:29:15,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:29:15,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:15,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:15,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:29:15,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:29:15,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:29:15,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:29:15,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:29:15,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:29:15,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:29:15,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:29:15,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:29:15,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:29:15,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:29:15,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:29:15,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:29:15,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:29:15,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:15,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:15,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:29:15,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:29:15,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:15,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:15,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:29:15,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:29:15,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:15,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:15,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:29:15,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:29:15,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:29:15,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:29:15,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:15,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:15,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:29:15,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:29:15,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:29:15,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:29:15,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:29:15,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:29:15,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:29:15,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:29:15,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:29:15,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:29:15,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:15,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:15,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:29:15,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:29:15,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:29:15,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:29:15,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:29:15,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:29:15,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:29:15,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:29:15,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:29:15,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:29:15,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:29:15,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:29:15,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:15,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:15,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:29:15,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:29:15,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:29:15,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:29:15,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:29:15,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:29:15,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:29:15,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:29:15,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:29:15,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:29:15,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:15,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:15,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:29:15,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:29:15,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:29:15,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:29:15,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:29:15,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:29:15,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:29:15,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:29:15,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:29:15,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:29:15,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:29:15,437   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:29:15,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:29:15,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:29:15,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:29:15,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:29:15,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:29:15,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:29:15,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:29:15,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:29:15,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:29:15,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:29:15,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:29:15,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:29:15,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:29:15,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:29:15,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:29:15,469   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:29:15,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:29:15,473   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:29:15,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:15,477   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:15,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51
2025-08-31T09:29:15,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:15,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:15,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:15,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:15,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:15,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:15,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:15,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:15,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:29:15,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:29:15,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:15,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:15,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:15,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:15,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:15,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:15,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:15,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:15,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:29:15,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:29:15,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:29:15,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:29:15,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:15,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:15,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:15,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:15,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:29:15,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:29:15,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:15,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:15,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:15,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:15,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:15,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:15,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:15,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:15,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:15,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:15,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:15,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:15,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:15,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:15,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:15,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:15,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:15,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:15,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:29:15,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:29:15,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:15,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:15,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:15,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:15,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:29:15,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:29:15,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:15,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:15,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:29:15,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:29:15,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:29:15,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:29:15,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:15,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:15,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:15,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:15,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:29:15,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:29:15,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:15,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:15,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:15,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:15,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:15,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:15,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:15,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:15,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:15,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:15,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:15,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:15,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:15,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:15,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:29:15,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:29:15,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:29:15,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:29:15,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:29:15,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:29:15,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:15,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:15,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:15,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:15,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:15,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:15,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:15,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:15,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:15,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:15,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:15,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:15,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:15,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:15,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:29:15,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:29:15,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:15,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:15,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:15,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:15,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:15,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:15,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:15,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:15,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:15,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:15,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:15,704   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:15,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:15,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:15,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:15,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:15,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:15,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:15,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:29:15,720   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:29:15,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:15,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:15,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:15,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:15,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:15,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:15,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:15,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:15,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:15,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:15,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:15,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:15,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:15,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:15,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:15,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:15,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:15,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:15,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:15,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:15,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:15,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:15,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:29:15,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:29:15,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:15,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:15,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:29:15,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:29:15,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:15,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:15,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:15,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:15,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:15,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:15,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:29:15,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:29:15,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:15,798   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:15,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:29:15,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:29:15,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:15,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:15,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:15,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:15,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:29:15,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:29:15,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:15,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:15,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:29:15,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:29:15,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:15,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:15,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28
2025-08-31T09:29:15,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:15,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:15,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:15,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:15,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:15,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:15,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:15,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:15,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:15,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:15,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:15,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:15,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:15,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:15,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:15,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:15,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:15,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:15,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:15,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:15,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:15,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:15,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:15,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:15,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:15,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:15,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:15,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:15,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:15,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:15,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:15,891   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:15,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:15,895   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:15,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:15,899   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:15,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:15,903   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:15,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:15,907   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:15,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:15,911   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:15,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:15,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:15,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:15,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:15,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:15,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:15,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:15,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:15,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:15,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:15,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:15,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:15,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:15,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:15,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:15,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:15,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:15,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:15,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:15,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:15,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:15,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:15,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:15,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:15,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:15,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:15,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:15,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:15,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:15,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:15,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:15,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:15,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:15,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:15,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23
2025-08-31T09:29:15,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:29:15,989   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:29:15,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:29:15,993   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:29:15,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:29:15,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:29:15,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:29:16,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:29:16,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:29:16,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:29:16,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:29:16,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:29:16,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:29:16,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:29:16,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:29:16,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:29:16,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:29:16,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:29:16,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:29:16,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:29:16,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:29:16,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:29:16,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:29:16,033   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:29:16,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:29:16,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:29:16,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:29:16,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:29:16,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:29:16,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:29:16,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:29:16,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:29:16,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:29:16,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:29:16,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:29:16,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:29:16,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:29:16,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:29:16,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:29:16,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:29:16,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:29:16,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:29:16,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:29:16,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:29:16,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:29:16,077   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:29:16,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:29:16,081   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:29:16,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:29:16,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:29:16,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:29:16,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:29:16,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:29:16,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:29:16,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:29:16,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:29:16,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:29:16,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:29:16,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:29:16,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:29:16,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:29:16,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:29:16,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:29:16,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:29:16,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:29:16,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:29:16,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:29:16,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:29:16,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:29:16,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:29:16,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:29:16,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:29:16,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:29:16,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:29:16,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:29:16,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:29:16,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:29:16,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:29:16,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:29:16,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:29:16,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:29:16,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:29:16,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:29:16,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:29:16,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:29:16,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:29:16,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:29:16,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:29:16,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:29:16,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:29:16,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:29:16,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:29:16,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:29:16,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:29:16,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:29:16,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:29:16,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:29:16,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:29:16,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:29:16,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:29:16,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:29:16,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:29:16,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:29:16,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:29:16,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:29:16,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:29:16,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:29:16,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:29:16,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:29:16,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:29:16,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:29:16,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:29:16,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:29:16,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:29:16,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:29:16,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:29:16,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:29:16,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:29:16,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:29:16,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:29:16,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:29:16,233   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:29:16,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:29:16,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:29:16,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:29:16,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:29:16,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:29:16,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:29:16,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:29:16,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:29:16,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:29:16,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:29:16,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:29:16,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:29:16,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:29:16,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:29:16,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:29:16,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:29:16,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27
2025-08-31T09:29:16,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:16,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:16,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:16,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:16,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:16,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:16,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:16,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:16,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:16,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:16,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:16,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:16,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:16,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:16,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:16,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:16,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:16,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:16,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:16,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:16,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:16,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:16,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:16,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:16,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:16,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:16,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:16,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:16,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:16,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:16,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:16,336   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:16,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:16,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:16,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:16,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:16,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:16,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:16,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:16,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:16,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:16,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:16,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:16,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:16,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:16,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:16,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:16,368   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:16,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:16,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:16,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:16,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:16,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:16,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:16,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:16,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:16,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:16,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:16,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:16,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:16,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:16,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:16,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:16,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:16,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:16,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:16,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:16,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:16,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:16,415   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:16,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:16,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:16,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:16,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:16,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:16,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:16,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:16,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:16,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:16,437   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:16,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13
2025-08-31T09:29:16,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:16,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:16,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:16,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:16,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:16,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:16,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:16,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:16,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:29:16,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:29:16,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:16,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:16,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:16,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:16,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:29:16,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:29:16,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:16,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:16,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:16,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:16,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:29:16,485   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:29:16,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:16,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:16,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:29:16,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:29:16,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:29:16,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:29:16,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:16,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:16,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:16,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:16,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:29:16,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:29:16,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:16,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:16,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:29:16,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:29:16,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:29:16,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:29:16,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:29:16,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:29:16,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:29:16,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:29:16,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:29:16,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:29:16,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:29:16,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:29:16,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:29:16,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:29:16,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:29:16,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:29:16,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:29:16,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:29:16,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:16,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:16,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:16,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:16,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:16,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:16,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34
2025-08-31T09:29:16,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:29:16,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:29:16,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:29:16,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:29:16,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:29:16,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:29:16,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:29:16,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:29:16,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:29:16,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:29:16,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:29:16,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:29:16,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:29:16,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:29:16,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:29:16,598   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:29:16,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:29:16,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:29:16,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:29:16,607   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:29:16,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:29:16,611   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:29:16,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:29:16,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:29:16,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:29:16,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:29:16,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:29:16,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:29:16,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:29:16,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:29:16,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:29:16,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:29:16,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:29:16,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:29:16,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:29:16,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:29:16,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:29:16,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:29:16,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:29:16,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:29:16,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:29:16,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:29:16,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:29:16,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:29:16,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:29:16,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:29:16,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:29:16,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:29:16,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:29:16,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:29:16,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:29:16,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:29:16,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:29:16,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:29:16,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:29:16,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:29:16,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:29:16,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:29:16,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:29:16,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:29:16,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:29:16,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:29:16,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:29:16,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:29:16,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:29:16,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:29:16,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:29:16,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:29:16,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:29:16,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:29:16,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:29:16,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:29:16,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:29:16,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:29:16,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:29:16,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:29:16,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:29:16,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:29:16,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:29:16,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:29:16,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:29:16,733   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:29:16,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:29:16,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:29:16,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:29:16,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:29:16,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:29:16,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:29:16,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:29:16,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:29:16,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:29:16,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:29:16,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:29:16,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:29:16,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:29:16,761   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:29:16,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:29:16,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:29:16,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:29:16,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:29:16,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:29:16,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:29:16,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:29:16,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:29:16,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:29:16,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:29:16,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:29:16,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:29:16,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:29:16,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:29:16,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:29:16,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:29:16,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:29:16,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:29:16,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:29:16,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:29:16,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:29:16,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:29:16,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:29:16,809   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:29:16,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:29:16,813   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:29:16,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:29:16,817   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:29:16,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:29:16,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:29:16,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6
2025-08-31T09:29:16,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:16,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:16,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:16,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:16,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:16,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:16,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:16,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:16,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:17,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:17,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:17,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:17,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:17,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:17,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:17,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:17,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:17,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:17,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:17,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:17,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:17,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:17,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO
2025-08-31T09:29:17,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:29:17,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:29:17,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:29:17,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:29:17,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:29:17,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:29:17,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:29:17,114   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:29:17,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:29:17,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:29:17,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:29:17,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:29:17,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:29:17,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:29:17,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:29:17,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:29:17,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:29:17,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:29:17,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:29:17,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:29:17,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP
2025-08-31T09:29:17,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:29:17,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:29:17,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:29:17,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:29:17,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:29:17,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:29:17,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:29:17,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:29:17,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:29:17,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:29:17,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:17,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:17,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:17,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:17,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:29:17,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:29:17,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:29:17,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:29:17,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:29:17,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:29:17,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:29:17,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:29:17,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:17,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:17,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:17,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:17,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:29:17,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:29:17,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:29:17,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:29:17,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:29:17,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:29:17,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:29:17,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:29:17,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:29:17,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:29:17,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:17,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:17,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:29:17,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:29:17,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:29:17,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:29:17,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:29:17,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:29:17,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:29:17,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:29:17,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:17,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:17,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:29:17,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:29:17,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:29:17,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:29:17,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:17,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:17,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:17,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:17,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:29:17,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:29:17,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:17,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:17,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:17,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:17,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:29:17,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:29:17,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:29:17,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:29:17,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:29:17,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:29:17,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:17,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:17,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:29:17,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:29:17,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:29:17,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:29:17,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:29:17,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:29:17,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:17,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:17,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:29:17,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:29:17,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:17,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:17,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:17,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:17,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:29:17,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:29:17,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:29:17,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:29:17,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:29:17,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:29:17,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:29:17,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:29:17,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:17,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:17,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:17,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:17,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:17,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:17,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:29:17,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:29:17,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:29:17,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:29:17,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:29:17,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:29:17,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:29:17,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:29:17,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:29:17,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:29:17,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:29:17,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:29:17,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:29:17,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:29:17,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:17,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:17,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:17,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:17,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:29:17,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:29:17,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:29:17,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:29:17,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:29:17,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:29:17,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:29:17,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:29:17,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:29:17,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:29:17,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:17,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:17,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:29:17,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:29:17,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:17,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:17,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:29:17,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:29:17,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:29:17,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:29:17,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:29:17,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:29:17,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:29:17,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:29:17,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:17,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:17,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10
2025-08-31T09:29:17,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:17,440   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:17,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:17,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:17,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:17,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:17,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:17,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:17,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:29:17,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:29:17,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:17,461   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:17,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:17,465   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:17,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:17,469   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:17,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:17,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:17,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:17,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:17,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:17,482   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:17,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:17,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:17,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:17,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:17,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:17,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:17,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:17,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:17,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:17,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:17,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:17,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:17,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:17,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:17,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:17,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:17,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:17,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:17,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05
2025-08-31T09:29:17,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:17,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:17,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:17,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:17,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:29:17,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:29:17,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:29:17,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:29:17,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:29:17,544   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:29:17,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:17,548   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:17,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:29:17,552   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:29:17,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:17,556   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:17,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:29:17,560   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:29:17,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:17,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:17,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:29:17,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:29:17,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:29:17,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:29:17,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:29:17,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:29:17,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:17,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:17,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:17,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:17,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:29:17,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:29:17,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:17,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:17,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:29:17,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:29:17,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:29:17,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:29:17,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:29:17,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:29:17,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:29:17,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:29:17,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:17,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:17,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:17,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:17,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:29:17,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:29:17,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:17,624   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:17,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:29:17,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:29:17,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:29:17,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:29:17,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:17,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:17,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:29:17,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:29:17,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:17,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:17,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:17,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:17,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:17,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:17,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:29:17,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:29:17,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:29:17,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:29:17,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:17,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:17,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:17,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:17,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:17,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:17,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:29:17,678   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:29:17,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:17,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:17,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:17,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:17,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:29:17,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:29:17,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:17,698   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:17,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:29:17,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:29:17,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:17,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:17,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:17,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:17,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:29:17,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:29:17,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:17,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:17,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:17,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:17,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:29:17,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:29:17,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:29:17,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:29:17,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:17,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:17,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:29:17,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:29:17,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:29:17,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:29:17,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:29:17,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:29:17,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:17,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:17,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:17,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:17,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:29:17,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:29:17,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:17,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:17,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:17,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:17,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:17,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:17,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:17,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:17,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:17,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:17,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:29:17,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:29:17,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:17,790   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:17,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:17,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:17,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:17,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:17,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:29:17,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:29:17,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:29:17,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:29:17,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:17,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:17,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:17,814   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:17,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:17,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:17,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:17,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:17,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:29:17,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:29:17,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:29:17,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:29:17,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:17,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:17,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:17,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:17,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:29:17,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:29:17,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:17,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:17,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:17,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:17,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:29:17,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:29:17,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:17,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:17,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:17,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:17,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:17,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:17,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:17,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:17,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:29:17,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:29:17,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:29:17,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:29:17,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:29:17,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:29:17,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:17,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:17,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:17,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:17,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:17,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:17,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:29:17,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:29:17,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:29:17,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:29:17,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:29:17,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:29:17,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:29:17,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:29:17,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:29:17,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:29:17,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:17,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:17,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:17,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:17,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:17,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:17,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:29:17,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:29:17,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:17,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:17,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:17,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:17,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:17,948   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:17,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:29:17,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:29:17,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:17,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:17,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:17,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:17,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:17,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:17,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:17,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:17,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:29:17,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:29:17,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:29:17,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:29:17,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:29:17,989   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:29:17,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:29:17,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:29:17,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:18,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:18,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:18,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:18,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:18,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:18,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:18,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:18,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:29:18,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:29:18,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:29:18,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:29:18,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:18,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:18,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:18,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:18,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:29:18,041   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:29:18,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:18,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:18,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:29:18,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:29:18,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:18,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:18,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:18,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:18,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:29:18,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:29:18,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:29:18,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:29:18,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:18,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:18,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:18,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:18,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:18,090   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:18,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:18,094   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:18,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:18,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:18,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:18,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:18,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:18,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:18,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:18,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:18,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:29:18,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:29:18,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:18,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:18,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:18,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:18,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:18,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:18,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:18,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:18,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:18,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:18,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:18,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:18,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:29:18,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:29:18,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:29:18,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:29:18,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:29:18,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:29:18,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:18,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:18,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:18,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:18,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:29:18,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:29:18,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:29:18,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:29:18,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:18,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:18,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:18,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:18,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:29:18,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:29:18,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:18,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:18,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:18,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:18,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:29:18,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:29:18,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:29:18,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:29:18,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:29:18,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:29:18,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:29:18,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:29:18,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:18,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:18,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:29:18,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:29:18,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:29:18,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:29:18,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:18,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:18,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:18,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:18,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:18,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:18,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:29:18,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:29:18,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:18,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:18,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:18,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:18,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:29:18,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:29:18,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:29:18,257   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:29:18,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:29:18,261   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:29:18,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:29:18,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:29:18,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59
2025-08-31T09:29:18,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:18,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:18,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:18,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:18,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:18,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:18,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:18,285   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:18,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:18,289   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:18,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:18,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:18,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:18,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:18,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:18,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:18,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:18,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:18,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:29:18,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:29:18,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:29:18,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:29:18,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:18,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:18,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:18,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:18,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:18,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:18,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:18,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:18,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:18,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:18,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:18,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:18,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:18,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:18,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:18,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:18,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:18,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:18,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:18,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:18,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:18,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:18,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:18,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:18,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:18,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:18,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:18,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:18,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:18,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:18,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:18,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:18,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:18,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:18,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:18,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:18,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:29:18,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:29:18,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:18,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:18,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:18,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:18,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:18,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:18,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:29:18,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:29:18,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:18,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:18,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:18,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:18,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:18,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:18,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:18,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:18,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:18,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:18,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:18,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:18,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:18,437   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:18,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:18,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:18,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:18,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:18,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:18,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:18,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:18,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:18,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:18,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:18,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:18,461   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:18,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:18,465   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:18,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:18,469   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:18,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:29:18,473   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:29:18,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:18,477   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:18,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:18,481   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:18,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:29:18,485   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:29:18,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:18,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:18,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:18,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:18,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:18,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:18,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:18,501   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:18,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:18,505   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:18,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:18,509   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:18,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:18,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:18,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:18,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:18,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:18,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:18,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:18,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:18,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:18,530   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:18,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:18,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:18,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:18,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:18,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:18,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:18,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:18,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:18,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:18,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:18,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:18,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:18,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:18,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:18,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:18,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:18,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:18,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:18,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:29:18,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:29:18,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:18,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:18,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:18,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:18,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:18,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:18,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:29:18,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:29:18,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:18,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:18,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:18,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:18,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:18,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:18,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:18,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:18,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:18,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:18,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:18,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:18,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:18,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:18,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:18,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:18,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:18,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:18,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:18,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:18,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:29:18,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:29:18,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:18,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:18,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:18,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:18,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:18,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:18,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:29:18,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:29:18,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:18,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:18,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:18,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:18,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:18,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:18,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:18,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:18,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:29:18,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:29:18,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:18,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:18,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:18,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:18,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:18,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:18,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:18,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:18,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:18,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:18,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:18,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:18,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:29:18,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:29:18,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF
2025-08-31T09:29:18,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:18,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:18,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:18,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:18,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:18,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:18,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:18,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:18,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:18,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:18,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:18,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:18,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:18,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:18,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:18,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:18,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:18,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:18,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:18,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:18,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:18,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:18,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:29:18,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:29:18,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:18,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:18,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:18,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:18,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:18,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:18,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:18,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:18,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:18,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:18,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:29:18,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:29:18,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC
2025-08-31T09:29:18,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:18,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:18,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:29:18,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:29:18,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:29:18,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:29:18,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:18,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:18,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:18,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:18,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:18,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:18,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:18,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:18,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:18,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:18,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:29:18,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:29:18,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:18,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:18,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:18,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:18,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:18,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:18,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:18,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:18,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:18,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:18,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:18,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:18,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:18,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:18,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:18,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:18,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:18,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:18,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:18,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:18,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:18,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:18,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:18,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:18,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:18,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:18,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:18,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:18,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:29:18,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:29:18,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:18,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:18,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:18,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:18,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:29:18,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:29:18,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:18,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:18,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:18,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:18,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:18,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:18,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:18,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:18,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:18,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:18,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:18,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:18,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:18,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:18,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:29:18,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:29:18,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:18,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:18,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:18,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:18,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:18,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:18,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:18,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:18,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:18,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:18,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:29:18,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:29:18,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:18,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:18,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:18,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:18,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:29:18,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:29:18,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:18,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:18,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:18,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:18,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:18,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:18,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:18,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:18,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:29:18,985   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:29:18,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:29:18,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:29:18,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:18,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:18,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:18,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:19,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:19,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:19,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:19,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:19,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:19,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:19,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:19,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:19,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:19,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:19,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:19,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:19,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:19,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:19,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:19,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:19,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:19,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:19,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:19,039   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:19,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:19,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:19,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:19,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:19,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:19,051   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:19,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:19,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:19,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:19,059   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:19,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:19,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:19,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:19,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:19,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:29:19,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:29:19,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:29:19,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:29:19,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:19,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:19,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:19,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:19,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:19,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:19,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:19,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:19,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:19,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:19,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:19,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:19,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:19,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:19,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:19,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:19,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:19,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:19,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:29:19,118   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:29:19,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:19,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:19,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:29:19,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:29:19,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:29:19,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:29:19,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:19,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:19,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:19,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:19,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC
2025-08-31T09:29:19,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:19,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:19,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:29:19,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:29:19,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:29:19,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:29:19,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:19,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:19,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:29:19,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:29:19,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:19,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:19,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:19,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:19,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:19,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:19,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:19,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:19,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:19,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:19,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:29:19,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:29:19,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:19,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:19,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:19,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:19,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:19,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:19,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:19,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:19,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:19,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:19,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:19,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:19,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:19,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:19,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:19,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:19,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:19,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:19,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:19,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:19,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6
2025-08-31T09:29:19,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:19,233   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:19,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:19,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:19,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:19,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:19,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:19,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:19,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:19,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:19,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:19,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:19,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:19,257   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:19,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:19,261   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:19,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:19,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:19,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:19,269   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:19,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:19,273   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:19,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:19,277   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:19,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP
2025-08-31T09:29:19,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:29:19,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:29:19,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:29:19,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:29:19,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:29:19,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:29:19,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:29:19,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:29:19,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:29:19,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:29:19,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:19,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:19,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:19,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:19,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:29:19,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:29:19,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:19,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:19,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:29:19,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:29:19,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:19,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:19,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:29:19,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:29:19,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:29:19,333   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:29:19,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL
2025-08-31T09:29:19,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:19,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:19,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:19,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:19,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:19,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:19,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:19,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:19,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:19,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:19,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:19,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:19,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:19,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:19,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:19,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:19,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:19,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:19,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:19,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:19,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:19,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:19,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:19,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:19,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:19,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:19,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:19,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:19,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:19,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:19,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:19,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:19,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:19,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:19,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:19,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:19,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:19,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:19,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:19,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:19,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:19,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:19,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:19,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:19,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:19,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:19,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:19,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:19,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:19,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:19,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:19,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:19,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:19,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:19,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:19,448   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:19,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:19,452   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:19,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:19,456   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:19,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:19,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:19,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:19,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:19,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:19,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:19,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:19,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:19,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:19,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:19,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:19,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:19,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:19,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:19,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:19,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:19,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:19,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:19,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:19,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:19,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:19,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:19,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:19,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:19,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:19,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:19,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:19,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:19,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:19,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:19,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:19,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:19,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:19,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:19,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:19,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:19,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:19,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:19,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:19,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:19,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:19,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:19,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:19,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:19,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:19,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:19,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:19,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:19,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:19,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:19,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:19,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:19,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:19,563   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:19,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:19,567   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:19,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:19,571   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:19,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:19,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:19,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:19,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:19,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:19,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:19,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:19,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:19,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:19,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:19,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:19,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:19,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10
2025-08-31T09:29:19,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:19,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:19,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:19,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:19,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:19,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:19,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:19,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:19,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:19,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:19,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:19,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:19,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:19,624   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:19,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:19,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:19,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:19,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:19,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:19,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:19,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:19,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:19,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:19,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:19,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:19,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:19,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:19,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:19,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:19,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:19,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:19,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:19,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:19,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:19,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:19,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:19,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:19,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:19,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:19,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:19,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4
2025-08-31T09:29:19,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:19,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:19,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:19,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:19,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:19,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:19,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:19,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:19,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:19,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:19,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:19,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:19,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:19,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:19,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:19,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:19,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:19,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:19,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:19,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:19,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:19,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:19,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:19,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:19,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:19,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:19,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:19,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:19,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:19,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:19,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:19,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:19,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:19,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:19,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:19,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:19,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:19,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:19,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:19,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:19,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:19,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:19,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:19,768   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:19,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:19,772   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:19,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:19,776   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:19,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:19,780   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:19,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:19,784   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:19,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:19,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:19,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:19,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:19,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:19,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:19,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:19,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:19,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:19,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:19,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:19,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:19,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:19,814   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:19,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:19,818   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:19,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:19,822   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:19,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:19,826   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:19,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:19,830   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:19,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:19,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:19,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:19,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:19,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:19,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:19,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:19,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:19,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:19,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:19,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:19,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:19,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:19,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:19,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:19,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:19,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:19,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:19,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:19,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:19,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:19,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:19,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:19,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:19,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:19,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:19,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:19,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:19,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:19,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:19,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:19,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:19,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:19,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:19,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:19,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:19,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:19,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:19,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:19,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:19,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:19,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:19,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:19,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:19,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:19,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:19,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:19,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:19,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:19,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:19,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:19,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:19,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:19,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:19,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:19,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:19,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:19,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:19,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:19,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:19,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:19,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:19,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:19,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:19,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:19,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:19,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:19,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:19,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:19,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:19,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:19,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:19,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:19,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:19,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:19,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:19,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:19,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:19,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:19,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:19,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:20,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:20,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:20,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:20,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:20,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:20,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:20,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:20,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:20,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:20,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:20,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:20,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:20,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:20,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:20,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:20,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:20,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:20,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:20,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:20,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:20,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:20,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:20,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:20,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:20,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:20,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:20,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:20,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:20,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:20,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:20,063   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:20,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:20,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:20,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:20,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:20,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:20,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:20,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:20,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:20,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:20,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:20,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:20,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:20,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:20,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:20,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23
2025-08-31T09:29:20,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:29:20,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:29:20,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:29:20,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:29:20,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:29:20,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:29:20,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:29:20,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:29:20,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:29:20,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:29:20,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:29:20,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:29:20,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:29:20,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:29:20,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:29:20,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:29:20,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:29:20,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:29:20,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:29:20,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:29:20,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:29:20,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:29:20,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:29:20,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:29:20,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:29:20,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:29:20,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:29:20,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:29:20,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:29:20,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:29:20,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:29:20,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:29:20,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:29:20,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:29:20,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:29:20,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:29:20,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:29:20,176   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:29:20,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:29:20,180   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:29:20,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:29:20,184   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:29:20,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:29:20,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:29:20,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:29:20,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:29:20,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:29:20,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:29:20,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF
2025-08-31T09:29:20,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:29:20,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:29:20,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:29:20,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:29:20,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:29:20,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:29:20,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:29:20,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:29:20,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:29:20,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:29:20,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:29:20,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:29:20,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:29:20,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:29:20,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:29:20,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:29:20,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:29:20,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:29:20,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:29:20,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:29:20,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:29:20,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:29:20,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:29:20,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:29:20,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:29:20,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:29:20,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:29:20,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:29:20,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:29:20,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:29:20,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:29:20,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:29:20,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:29:20,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:29:20,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:29:20,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:29:20,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:29:20,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:29:20,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:29:20,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:29:20,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:29:20,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:29:20,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:29:20,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:29:20,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:29:20,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:29:20,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:29:20,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:29:20,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:29:20,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:29:20,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:29:20,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:29:20,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:29:20,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:29:20,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:29:20,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:29:20,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:29:20,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:29:20,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:29:20,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:29:20,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:29:20,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:29:20,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:29:20,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:29:20,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:29:20,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:29:20,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:29:20,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:29:20,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:29:20,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:29:20,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:29:20,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:29:20,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:29:20,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:29:20,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:29:20,353   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:29:20,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:29:20,357   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:29:20,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:29:20,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:29:20,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:29:20,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:29:20,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:29:20,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:29:20,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:29:20,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:29:20,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:29:20,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:29:20,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:29:20,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:29:20,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:29:20,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:29:20,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:29:20,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:29:20,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:29:20,395   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:29:20,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:29:20,399   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:29:20,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:29:20,403   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:29:20,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:29:20,407   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:29:20,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:29:20,411   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:29:20,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21
2025-08-31T09:29:20,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:20,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:20,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:20,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:20,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:29:20,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:29:20,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:29:20,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:29:20,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:20,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:20,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:20,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:20,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:29:20,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:29:20,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:29:20,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:29:20,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:29:20,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:29:20,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:29:20,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:29:20,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:29:20,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:29:20,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:20,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:20,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:20,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:20,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:20,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:20,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:29:20,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:29:20,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:20,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:20,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:29:20,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:29:20,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:20,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:20,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:29:20,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:29:20,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:20,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:20,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:29:20,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:29:20,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA
2025-08-31T09:29:20,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:20,505   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:20,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:20,509   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:20,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:20,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:20,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:20,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:20,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:20,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:20,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:20,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:20,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:20,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:20,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:20,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:20,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:20,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:20,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:20,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:20,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:20,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:20,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:20,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:20,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:20,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:20,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:20,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:20,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:20,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:20,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:20,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:20,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:20,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:20,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:20,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:20,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:20,577   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:20,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:20,581   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:20,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:20,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:20,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:20,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:20,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:20,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:20,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:20,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:20,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:20,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:20,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:20,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:20,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:20,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:20,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:20,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:20,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:20,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:20,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:20,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:20,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:20,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:20,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:20,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:20,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:20,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:20,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:20,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:20,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:20,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:20,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:20,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:20,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:20,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:20,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:20,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:20,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:20,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:20,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:20,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:20,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:20,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:20,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:20,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:20,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:20,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:20,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:20,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:20,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:20,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:20,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:20,686   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:20,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:20,690   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:20,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:20,694   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:20,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:20,698   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:20,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:20,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:20,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24
2025-08-31T09:29:20,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:20,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:20,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:20,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:20,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:20,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:20,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:20,720   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:20,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:20,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:20,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:20,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:20,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:20,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:20,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:20,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:20,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:20,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:20,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:20,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:20,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:20,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:20,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:20,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:20,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:20,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:20,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:20,761   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:20,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:20,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:20,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:20,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:20,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:20,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:20,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:20,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:20,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:20,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:20,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:20,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:20,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:20,790   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:20,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:20,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:20,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:20,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:20,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:20,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:20,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:20,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:20,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:20,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:20,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:20,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:20,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:20,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:20,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:20,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:20,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:20,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:20,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:20,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:20,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:20,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:20,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:20,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:20,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:20,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:20,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:20,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:20,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:20,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:20,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:20,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:20,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:20,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:20,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:20,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:20,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:20,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:20,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:20,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:20,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:20,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:20,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:20,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:20,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:20,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:20,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:20,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:20,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:20,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:20,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:20,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:20,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:20,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:20,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20
2025-08-31T09:29:20,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES
2025-08-31T09:29:20,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18
2025-08-31T09:29:20,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:20,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:20,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:20,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:20,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:20,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:20,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:20,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:20,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:20,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:20,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:20,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:20,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:20,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:20,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:20,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:20,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:20,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:20,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:20,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:20,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:20,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:20,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:20,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:20,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:20,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:20,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:20,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:20,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:20,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:20,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:20,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:20,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:20,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:20,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:20,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:20,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:20,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:20,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:20,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:20,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:20,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:21,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:21,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:21,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:21,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:21,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:21,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:21,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:21,016   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:21,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:21,020   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:21,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:21,024   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:21,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:21,028   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:21,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:21,033   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:21,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11
2025-08-31T09:29:21,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:29:21,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:29:21,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:29:21,047   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:29:21,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:29:21,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:29:21,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:29:21,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:29:21,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:29:21,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:29:21,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:29:21,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:29:21,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:29:21,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:29:21,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:29:21,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:29:21,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:29:21,077   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:29:21,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:29:21,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:29:21,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:29:21,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:29:21,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:29:21,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:29:21,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:21,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:21,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:29:21,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:29:21,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:21,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:21,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:29:21,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:29:21,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:29:21,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:29:21,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:21,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:21,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:29:21,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:29:21,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:29:21,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:29:21,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:21,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:21,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:29:21,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:29:21,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:29:21,137   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:29:21,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:21,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:21,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:29:21,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:29:21,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:29:21,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:29:21,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:29:21,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:29:21,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:29:21,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:29:21,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:29:21,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:29:21,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:29:21,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:29:21,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:29:21,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:29:21,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:29:21,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:29:21,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:21,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:21,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:29:21,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:29:21,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:21,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:21,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:29:21,191   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:29:21,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:21,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:21,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:29:21,199   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:29:21,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:29:21,203   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:29:21,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:21,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:21,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:21,211   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:21,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:29:21,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:29:21,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:21,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:21,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:29:21,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:29:21,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:21,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:21,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:21,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:21,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:29:21,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:29:21,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:29:21,240   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:29:21,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:21,244   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:21,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:29:21,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:29:21,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:29:21,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:29:21,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:29:21,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:29:21,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:29:21,260   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:29:21,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:29:21,264   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:29:21,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:21,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:21,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:29:21,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:29:21,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:29:21,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:29:21,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:29:21,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:29:21,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:29:21,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:29:21,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:29:21,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:29:21,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:29:21,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:29:21,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:29:21,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:29:21,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:21,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:21,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:29:21,303   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:29:21,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:29:21,307   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:29:21,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:29:21,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:29:21,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:29:21,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:29:21,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:29:21,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:29:21,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:21,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:21,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:29:21,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:29:21,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:29:21,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:29:21,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:29:21,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:29:21,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:29:21,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:29:21,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:29:21,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:29:21,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:29:21,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:29:21,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:21,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:21,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:29:21,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:29:21,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:29:21,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:29:21,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:21,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:21,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:21,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:21,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:21,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:21,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:29:21,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:29:21,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:29:21,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:29:21,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:29:21,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:29:21,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:29:21,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:29:21,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:21,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:21,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:29:21,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:29:21,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:29:21,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:29:21,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:21,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:21,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:21,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:21,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:29:21,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:29:21,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:29:21,416   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:29:21,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:29:21,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:29:21,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:21,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:21,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:29:21,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:29:21,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:21,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:21,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:29:21,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:29:21,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:29:21,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:29:21,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:29:21,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:29:21,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:29:21,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:29:21,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:29:21,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:29:21,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:29:21,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:29:21,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:29:21,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:29:21,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:29:21,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:29:21,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:21,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:21,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:29:21,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:29:21,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:21,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:21,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:29:21,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:29:21,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:29:21,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:29:21,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:21,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:21,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:29:21,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:29:21,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:21,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:21,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:29:21,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:29:21,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:21,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:21,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:29:21,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:29:21,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:21,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:21,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:29:21,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:29:21,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:29:21,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:29:21,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:29:21,748   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:29:21,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:29:21,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:29:21,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:29:21,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:29:21,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:21,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:21,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:21,764   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:21,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:29:21,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:29:21,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:21,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:21,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:29:21,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:29:21,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:29:21,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:29:21,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:29:21,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:29:21,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:21,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:21,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:21,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:21,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:29:21,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:29:21,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:29:21,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:29:21,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:29:21,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:29:21,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:29:21,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:29:21,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:29:21,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:29:21,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:29:21,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:29:21,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:29:21,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:29:21,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:21,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:21,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:29:21,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:29:21,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:21,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:21,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:29:21,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:29:21,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:29:21,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:29:21,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:29:21,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:29:21,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:21,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:21,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:29:21,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:29:21,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:29:21,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:29:21,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:21,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:21,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:29:21,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:29:21,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:29:21,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:29:21,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:29:21,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:29:21,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:21,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:21,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:21,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:21,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20
2025-08-31T09:29:21,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:29:21,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:29:21,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:29:21,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:29:21,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:29:21,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:29:21,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:29:21,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:29:21,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:29:21,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:29:21,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:29:21,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:29:21,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:29:21,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:29:21,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:29:21,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:29:21,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:29:21,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:29:21,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:29:21,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:29:21,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:29:21,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:29:21,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:29:21,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:29:21,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:29:21,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:29:21,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:29:21,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:29:21,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:29:21,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:29:21,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:29:21,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:29:21,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:29:21,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:29:21,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:29:21,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:29:21,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:29:21,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:29:21,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:29:21,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:29:21,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:29:21,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:29:21,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:29:21,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:29:21,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:29:21,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:29:21,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:29:21,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:29:21,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:29:21,982   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:29:21,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:29:21,986   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:29:21,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:29:21,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:29:21,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:29:21,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:29:21,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:29:21,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:29:22,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:29:22,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:29:22,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:29:22,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:29:22,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:29:22,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:29:22,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:29:22,015   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:29:22,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:29:22,019   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:29:22,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:29:22,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:29:22,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:29:22,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:29:22,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI
2025-08-31T09:29:22,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:29:22,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:29:22,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:22,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:22,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:22,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:22,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:22,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:22,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:29:22,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:29:22,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:22,054   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:22,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:22,058   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:22,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:22,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:22,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:22,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:22,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:22,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:22,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:29:22,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:29:22,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:22,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:22,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:22,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:22,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:22,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:22,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:22,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:22,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:22,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:22,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:22,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:22,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:22,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:22,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:22,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:22,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:22,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:22,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:22,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:22,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:22,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:22,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:22,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:22,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:22,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:22,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:22,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:22,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:22,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:22,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:22,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:22,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:22,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:22,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:22,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:22,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:22,156   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:22,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:22,160   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:22,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:22,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:22,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:22,168   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:22,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:22,172   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:22,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:22,176   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:22,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:29:22,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:29:22,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:22,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:22,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:22,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:22,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:22,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:22,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:29:22,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:29:22,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:29:22,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:29:22,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:22,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:22,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:22,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:22,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:22,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:22,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:22,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:22,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:22,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:22,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:22,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:22,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:22,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:22,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:22,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:22,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:22,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:22,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:22,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:22,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:22,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:22,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:22,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:22,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:22,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:22,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:22,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:22,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:22,264   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:22,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:22,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:22,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:22,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:22,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:29:22,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:29:22,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:22,281   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:22,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:29:22,285   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:29:22,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC
2025-08-31T09:29:22,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:29:22,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:29:22,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:29:22,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:29:22,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:29:22,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:29:22,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:29:22,305   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:29:22,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:29:22,309   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:29:22,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:29:22,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:29:22,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:29:22,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:29:22,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:29:22,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:29:22,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:29:22,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:29:22,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:29:22,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:29:22,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:29:22,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:29:22,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:29:22,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:29:22,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:29:22,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:29:22,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:22,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:22,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:29:22,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:29:22,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:29:22,354   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:29:22,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:29:22,358   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:29:22,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:22,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:22,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:29:22,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:29:22,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:29:22,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:29:22,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:29:22,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:29:22,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:29:22,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:29:22,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13
2025-08-31T09:29:22,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:29:22,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:29:22,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:22,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:22,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:22,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:22,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:22,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:22,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:22,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:22,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:22,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:22,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:22,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:22,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:22,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:22,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:22,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:22,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:29:22,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:29:22,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:29:22,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:29:22,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:22,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:22,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:22,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:22,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:29:22,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:29:22,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:22,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:22,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:22,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:22,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:29:22,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:29:22,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:22,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:22,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:22,458   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:22,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:22,462   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:22,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:22,466   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:22,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:22,470   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:22,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:22,474   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:22,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:29:22,478   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:29:22,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:29:22,482   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:29:22,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:22,486   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:22,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:22,490   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:22,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:29:22,494   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:29:22,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:22,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:22,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6
2025-08-31T09:29:22,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:29:22,505   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:29:22,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:29:22,509   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:29:22,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:29:22,513   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:29:22,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:29:22,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:29:22,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:29:22,521   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:29:22,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:29:22,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:29:22,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:29:22,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:29:22,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:29:22,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:29:22,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:29:22,538   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:29:22,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:29:22,542   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:29:22,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:29:22,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:29:22,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:29:22,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:29:22,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:29:22,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:29:22,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:29:22,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:29:22,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:29:22,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:29:22,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:29:22,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:29:22,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:29:22,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:29:22,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:29:22,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:29:22,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15
2025-08-31T09:29:22,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:29:22,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:29:22,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:29:22,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:29:22,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:29:22,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:29:22,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:29:22,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:29:22,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:29:22,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:29:22,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:29:22,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:29:22,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:29:22,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:29:22,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:29:22,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:29:22,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:29:22,614   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:29:22,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:29:22,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:29:22,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:29:22,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:29:22,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:29:22,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:29:22,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:29:22,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:29:22,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:29:22,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:29:22,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:29:22,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:29:22,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:29:22,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:29:22,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:29:22,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:29:22,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:29:22,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:29:22,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:29:22,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:29:22,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:29:22,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:29:22,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:29:22,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:29:22,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:29:22,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:29:22,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:29:22,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:29:22,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:29:22,676   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:29:22,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:29:22,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:29:22,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF
2025-08-31T09:29:22,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:22,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:22,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:22,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:22,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:22,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:22,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:22,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:22,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:22,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:22,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:22,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:22,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:22,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:22,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:22,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:22,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:22,720   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:22,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:22,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:22,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:22,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:22,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:22,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:22,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:22,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:22,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:22,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:22,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:22,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:22,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:22,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:22,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:22,752   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:22,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:22,756   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:22,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:22,760   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:22,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:22,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:22,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:22,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:22,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:22,773   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:22,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:22,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:22,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:22,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:22,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:22,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:22,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:22,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:22,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:22,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:22,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21
2025-08-31T09:29:22,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:29:22,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:29:22,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:29:22,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:29:22,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:29:22,809   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:29:22,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:29:22,813   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:29:22,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:29:22,817   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:29:22,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:29:22,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:29:22,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:29:22,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:29:22,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:29:22,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:29:22,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:29:22,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:29:22,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:29:22,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:29:22,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:29:22,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:29:22,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:29:22,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:29:22,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:29:22,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:29:22,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:29:22,854   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:29:22,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:29:22,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:29:22,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:29:22,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:29:22,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:29:22,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:29:22,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:29:22,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:29:22,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:29:22,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:29:22,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:29:22,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:29:22,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:29:22,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:29:22,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:29:22,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:29:22,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:29:22,890   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:29:22,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:29:22,894   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:29:22,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:29:22,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:29:22,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:29:22,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:29:22,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:29:22,906   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:29:22,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:29:22,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:29:22,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:29:22,914   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:29:22,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:29:22,919   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:29:22,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:29:22,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:29:22,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:29:22,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:29:22,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:29:22,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:29:22,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:29:22,935   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:29:22,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:29:22,939   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:29:22,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:29:22,943   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:29:22,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:29:22,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:29:22,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:29:22,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:29:22,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:29:22,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:29:22,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:29:22,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:29:22,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:29:22,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:29:22,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27
2025-08-31T09:29:22,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:22,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:22,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:22,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:22,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:22,980   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:22,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:22,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:22,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:22,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:22,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:22,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:22,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:22,997   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:23,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:23,001   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:23,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:29:23,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:29:23,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:23,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:23,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:23,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:23,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:23,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:23,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:23,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:23,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:23,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:23,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:23,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:23,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:23,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:23,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:23,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:23,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:23,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:23,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:23,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:23,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:23,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:23,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:23,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:23,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:23,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:23,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:23,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:23,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:29:23,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:29:23,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:23,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:23,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:23,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:23,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:23,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:23,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:23,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:23,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:23,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:23,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:23,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:23,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10
2025-08-31T09:29:23,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:23,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:23,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:23,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:23,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:23,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:23,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:23,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:23,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:23,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:23,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:23,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:23,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:23,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:23,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:23,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:23,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:23,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:23,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:23,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:23,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:23,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:23,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:23,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:23,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:23,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:23,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:23,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:23,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:23,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:23,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:23,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:23,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:23,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:23,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:23,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:23,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:23,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:23,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:23,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:23,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36
2025-08-31T09:29:23,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:29:23,180   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:29:23,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:29:23,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:29:23,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:29:23,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:29:23,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:29:23,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:29:23,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:23,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:23,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:29:23,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:29:23,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:29:23,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:29:23,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:29:23,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:29:23,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:29:23,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:29:23,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:29:23,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:29:23,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:29:23,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:29:23,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:29:23,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:29:23,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:29:23,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:29:23,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:29:23,233   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:29:23,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:29:23,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:29:23,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:29:23,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:29:23,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:29:23,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:29:23,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:29:23,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:29:23,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:29:23,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:29:23,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:29:23,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:29:23,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:29:23,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:29:23,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:29:23,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:29:23,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:29:23,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:29:23,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:29:23,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:29:23,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:29:23,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:29:23,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:29:23,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:29:23,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:29:23,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:29:23,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:29:23,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:29:23,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:29:23,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:29:23,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:29:23,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:29:23,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:29:23,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:29:23,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:29:23,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:29:23,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:29:23,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:29:23,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:29:23,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:29:23,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:29:23,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:29:23,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:29:23,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:29:23,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:29:23,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:29:23,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:29:23,333   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:29:23,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24
2025-08-31T09:29:23,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:23,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:23,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:23,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:23,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:29:23,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:29:23,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:29:23,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:29:23,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:23,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:23,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:23,360   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:23,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:23,365   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:23,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:23,369   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:23,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:23,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:23,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:29:23,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:29:23,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:23,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:23,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:23,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:23,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:23,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:23,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:23,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:23,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:23,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:23,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:23,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:23,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:23,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:23,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:23,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:23,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:23,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:23,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:23,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:23,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:29:23,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:29:23,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:23,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:23,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:23,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:23,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:23,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:23,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:23,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:23,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:23,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:23,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:23,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:23,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:23,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:23,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:29:23,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:29:23,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:23,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:23,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:23,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:23,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:29:23,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:29:23,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:23,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:23,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:23,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:23,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:23,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:23,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:29:23,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:29:23,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:23,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:23,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:23,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:23,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:23,497   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:23,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:23,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:23,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:29:23,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:29:23,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:29:23,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:29:23,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:23,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:23,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:23,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:23,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:29:23,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:29:23,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:23,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:23,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:23,530   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:23,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:23,534   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:23,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43
2025-08-31T09:29:23,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:29:23,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:29:23,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:23,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:23,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:23,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:23,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:29:23,554   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:29:23,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:29:23,558   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:29:23,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:29:23,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:29:23,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:23,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:23,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:29:23,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:29:23,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:29:23,575   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:29:23,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:29:23,579   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:29:23,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:29:23,583   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:29:23,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:29:23,587   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:29:23,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:29:23,591   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:29:23,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:29:23,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:29:23,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:29:23,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:29:23,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:29:23,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:29:23,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:23,607   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:23,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:23,611   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:23,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:29:23,615   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:29:23,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:29:23,619   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:29:23,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:29:23,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:29:23,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:29:23,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:29:23,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:29:23,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:29:23,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:29:23,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:29:23,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:29:23,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:29:23,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:29:23,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:29:23,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:29:23,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:29:23,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:29:23,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:29:23,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:29:23,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:29:23,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:29:23,660   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:29:23,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:29:23,664   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:29:23,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:29:23,668   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:29:23,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:29:23,672   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:29:23,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:29:23,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:29:23,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:29:23,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:29:23,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:29:23,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:29:23,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:29:23,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:29:23,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:29:23,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:29:23,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:29:23,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:29:23,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:29:23,699   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:29:23,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:29:23,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:29:23,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:29:23,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:29:23,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:29:23,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:29:23,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:23,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:23,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:23,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:23,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:23,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:23,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:23,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:23,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:29:23,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:29:23,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:29:23,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:29:23,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:29:23,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:29:23,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:29:23,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:29:23,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:29:23,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:29:23,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:29:23,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:29:23,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:29:23,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:29:23,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:29:23,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:29:23,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:29:23,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:29:23,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:29:23,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:29:23,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:29:23,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:29:23,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43
2025-08-31T09:29:23,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:29:23,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:29:23,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:29:23,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:29:23,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:29:23,785   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:29:23,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:29:23,789   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:29:23,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:29:23,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:29:23,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:29:23,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:29:23,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:29:23,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:29:23,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:29:23,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:29:23,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:29:23,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:29:23,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:29:23,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:29:23,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:29:23,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:29:23,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:29:23,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:29:23,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:29:23,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:29:23,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:29:23,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:29:23,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:29:23,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:29:23,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:29:23,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:29:23,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:29:23,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:29:23,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:29:23,846   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:29:23,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:29:23,850   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:29:23,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:29:23,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:29:23,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:29:23,859   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:29:23,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:29:23,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:29:23,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:29:23,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:29:23,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:29:23,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:29:23,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:29:23,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:29:23,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:29:23,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:29:23,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:29:23,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:29:23,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:29:23,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:29:23,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:29:23,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:29:23,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:29:23,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:29:23,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:29:23,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:29:23,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:29:23,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:29:23,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:29:23,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:29:23,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:29:23,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:29:23,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:29:23,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:29:23,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:29:23,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:29:23,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:29:23,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:29:23,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:29:23,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:29:23,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:29:23,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:29:23,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:29:23,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:29:23,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:29:23,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:29:23,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:29:23,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:29:23,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:29:23,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:29:23,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:29:23,948   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:29:23,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:29:23,952   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:29:23,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:29:23,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:29:23,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:29:23,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:29:23,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:29:23,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:29:23,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:29:23,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:29:23,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:29:23,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:29:23,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:29:23,976   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:29:23,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:29:23,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:29:23,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:29:23,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:29:23,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:29:23,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:29:23,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:29:23,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:29:23,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:29:23,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:29:23,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:29:23,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:29:24,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:29:24,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:29:24,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:29:24,007   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:29:24,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:29:24,011   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:29:24,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:29:24,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:29:24,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:29:24,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:29:24,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:29:24,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:29:24,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:29:24,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:29:24,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:29:24,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:29:24,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:29:24,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:29:24,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:29:24,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:29:24,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:29:24,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:29:24,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:29:24,045   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:29:24,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:29:24,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:29:24,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:29:24,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:29:24,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:29:24,058   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:29:24,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:29:24,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:29:24,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:29:24,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:29:24,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:29:24,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:29:24,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:29:24,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:29:24,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:29:24,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:29:24,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:29:24,083   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:29:24,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:29:24,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:29:24,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:29:24,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:29:24,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:29:24,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:29:24,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:29:24,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:29:24,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:29:24,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:29:24,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:29:24,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:29:24,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:29:24,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:29:24,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:29:24,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:29:24,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:29:24,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:29:24,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:29:24,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:29:24,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18
2025-08-31T09:29:24,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:29:24,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:29:24,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:29:24,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:29:24,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:29:24,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:29:24,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:29:24,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:29:24,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:24,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:24,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:29:24,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:29:24,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:29:24,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:29:24,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:29:24,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:29:24,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:29:24,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:29:24,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:29:24,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:29:24,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:24,171   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:24,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:29:24,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:29:24,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:29:24,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:29:24,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:29:24,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:29:24,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:29:24,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:29:24,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:29:24,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:29:24,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:29:24,196   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:29:24,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:29:24,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:29:24,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:29:24,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:29:24,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:24,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:24,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:29:24,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:29:24,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:29:24,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:29:24,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:24,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:24,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:29:24,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:29:24,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:29:24,229   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:29:24,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8
2025-08-31T09:29:24,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:24,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:24,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:29:24,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:29:24,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:24,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:24,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:24,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:24,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:24,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:24,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:29:24,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:29:24,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:24,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:24,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:24,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:24,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:29:24,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:29:24,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:29:24,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:29:24,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:24,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:24,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:29:24,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:29:24,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:29:24,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:29:24,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:29:24,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:29:24,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:29:24,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:29:24,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:24,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:24,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:24,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:24,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF
2025-08-31T09:29:24,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:29:24,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:29:24,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:29:24,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:29:24,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:29:24,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:29:24,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:29:24,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:29:24,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:29:24,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:29:24,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:29:24,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:29:24,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:29:24,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:29:24,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:29:24,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:29:24,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:29:24,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:29:24,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:29:24,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:29:24,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:29:24,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:29:24,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:29:24,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:29:24,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:29:24,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:29:24,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:29:24,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:29:24,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:29:24,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:29:24,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:29:24,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:29:24,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:29:24,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:29:24,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:29:24,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:29:24,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:29:24,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:29:24,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16
2025-08-31T09:29:24,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:29:24,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:29:24,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:29:24,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:29:24,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:29:24,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:29:24,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:29:24,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:29:24,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:29:24,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:29:24,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:29:24,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:29:24,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:29:24,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:29:24,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:29:24,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:29:24,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:29:24,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:29:24,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:29:24,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:29:24,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:29:24,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:29:24,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:29:24,427   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:29:24,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:29:24,431   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:29:24,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:29:24,435   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:29:24,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:29:24,439   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:29:24,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:29:24,443   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:29:24,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:29:24,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:29:24,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:29:24,452   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:29:24,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:29:24,456   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:29:24,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:29:24,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:29:24,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:29:24,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:29:24,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:29:24,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:29:24,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:29:24,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:29:24,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:29:24,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:29:24,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:29:24,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:29:24,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:29:24,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:29:24,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:29:24,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:29:24,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:29:24,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:29:24,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:29:24,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:29:24,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:29:24,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:29:24,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:29:24,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:29:24,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:29:24,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:29:24,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:29:24,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:29:24,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:29:24,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:29:24,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:29:24,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:29:24,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:29:24,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:29:24,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:29:24,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:29:24,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:29:24,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:29:24,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:29:24,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:29:24,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:29:24,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:29:24,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:29:24,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:29:24,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:29:24,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:29:24,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:29:24,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:29:24,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:29:24,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:29:24,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:29:24,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:29:24,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:29:24,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:29:24,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:29:24,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:29:24,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:29:24,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:29:24,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21
2025-08-31T09:29:24,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:29:24,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:29:24,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:29:24,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:29:24,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:29:24,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:29:24,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:29:24,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:29:24,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:29:24,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:29:24,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:29:24,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:29:24,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:29:24,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:29:24,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:29:24,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:29:24,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:29:24,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:29:24,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:29:24,614   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:29:24,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:29:24,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:29:24,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:29:24,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:29:24,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:29:24,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:29:24,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:29:24,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:29:24,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:29:24,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:29:24,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:29:24,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:29:24,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:29:24,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:29:24,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:29:24,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:29:24,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:29:24,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:29:24,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:29:24,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:29:24,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:29:24,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:29:24,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:29:24,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:29:24,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:29:24,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:29:24,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:29:24,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:29:24,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:29:24,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:29:24,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:29:24,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:29:24,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:29:24,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:29:24,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:29:24,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:29:24,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:29:24,691   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:29:24,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:29:24,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:29:24,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:29:24,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:29:24,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:29:24,704   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:29:24,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:29:24,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:29:24,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:29:24,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:29:24,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:29:24,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:29:24,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:29:24,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:29:24,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:29:24,723   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:29:24,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:29:24,727   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:29:24,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:29:24,731   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:29:24,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:29:24,735   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:29:24,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:29:24,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:29:24,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:29:24,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:29:24,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:29:24,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:29:24,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:29:24,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:29:24,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:29:24,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:29:24,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:29:24,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:29:24,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:29:24,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:29:24,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:29:24,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:29:24,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:29:24,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:29:24,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:29:24,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:29:24,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:29:24,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:29:24,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:29:24,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:29:24,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:29:24,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:29:24,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:29:24,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:29:24,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:29:24,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:29:24,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:29:24,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:29:24,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:29:24,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:29:24,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:29:24,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:29:24,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:29:24,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:29:24,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:29:24,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:29:24,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:29:24,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:29:24,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:29:24,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:29:24,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:29:24,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:29:24,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12
2025-08-31T09:29:24,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:24,834   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:24,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:24,838   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:24,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:24,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:24,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:24,847   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:24,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:24,851   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:24,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:24,855   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:24,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:24,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:24,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:24,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:24,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:24,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:24,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:24,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:24,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:24,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:24,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:24,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:24,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:24,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:24,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:24,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:24,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:24,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:24,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:24,896   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:24,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:24,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:24,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:24,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:24,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:24,908   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:24,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:24,912   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:24,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:24,916   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:24,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:24,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:24,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:24,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:24,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:24,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:24,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:24,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:24,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:24,936   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:24,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:24,940   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:24,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:24,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:24,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:24,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:24,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:24,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:24,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:24,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:24,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:24,961   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:24,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:24,965   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:24,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:24,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:24,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:24,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:24,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:24,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:24,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11
2025-08-31T09:29:24,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:24,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:24,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:24,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:24,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:24,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:24,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:24,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:24,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:24,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:25,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:25,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:25,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:25,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:25,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:25,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:25,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:25,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:25,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:25,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:25,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:25,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:25,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:25,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:25,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:25,033   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:25,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:25,037   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:25,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:25,041   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:25,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:25,045   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:25,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:25,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:25,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:25,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:25,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:25,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:25,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:25,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:25,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:25,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:25,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:25,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:25,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66
2025-08-31T09:29:25,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:29:25,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:29:25,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:29:25,083   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:29:25,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:29:25,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:29:25,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:29:25,091   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:29:25,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:29:25,095   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:29:25,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:29:25,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:29:25,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:29:25,103   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:29:25,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:29:25,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:29:25,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:29:25,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:29:25,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:29:25,115   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:29:25,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:29:25,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:29:25,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:29:25,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:29:25,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:29:25,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:29:25,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:29:25,131   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:29:25,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:29:25,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:29:25,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:29:25,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:29:25,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:29:25,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:29:25,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:29:25,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:29:25,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:29:25,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:29:25,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:29:25,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:29:25,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:29:25,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:29:25,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:29:25,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:29:25,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:29:25,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:29:25,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:29:25,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:29:25,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:29:25,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:29:25,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:29:25,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:29:25,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:29:25,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:29:25,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:29:25,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:29:25,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:29:25,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:29:25,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:29:25,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:29:25,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:29:25,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:29:25,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:29:25,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:29:25,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:29:25,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:29:25,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:29:25,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:29:25,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:29:25,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:29:25,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:29:25,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:29:25,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:29:25,222   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:29:25,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:29:25,226   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:29:25,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:29:25,230   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:29:25,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:29:25,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:29:25,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:29:25,238   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:29:25,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:29:25,242   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:29:25,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:29:25,246   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:29:25,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:29:25,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:29:25,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:29:25,254   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:29:25,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:29:25,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:29:25,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:29:25,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:29:25,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:29:25,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:29:25,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:29:25,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:29:25,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:29:25,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:29:25,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:29:25,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:29:25,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:29:25,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:29:25,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:29:25,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:29:25,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:29:25,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:29:25,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:29:25,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:29:25,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:29:25,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:29:25,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:29:25,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:29:25,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:29:25,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:29:25,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:29:25,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:29:25,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:29:25,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:29:25,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:29:25,318   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:29:25,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:29:25,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:29:25,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:29:25,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:29:25,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:29:25,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:29:25,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:29:25,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:29:25,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:29:25,338   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:29:25,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:29:25,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:29:25,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:29:25,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:29:25,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:29:25,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:29:25,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:29:25,354   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:29:25,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:29:25,358   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:29:25,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:29:25,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:29:25,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:29:25,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:29:25,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:29:25,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:29:25,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:29:25,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:29:25,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:29:25,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:29:25,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:29:25,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:29:25,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:29:25,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:29:25,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:29:25,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:29:25,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:29:25,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:29:25,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:29:25,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:29:25,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:29:25,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:29:25,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:29:25,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:29:25,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:29:25,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:29:25,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:29:25,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:29:25,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:29:25,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:29:25,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:29:25,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:29:25,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:29:25,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:29:25,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:29:25,430   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:29:25,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:29:25,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:29:25,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:29:25,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:29:25,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:29:25,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:29:25,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:29:25,447   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:29:25,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:29:25,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:29:25,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:29:25,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:29:25,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:29:25,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:29:25,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:29:25,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:29:25,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:29:25,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:29:25,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:29:25,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:29:25,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:29:25,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:29:25,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:29:25,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:29:25,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:29:25,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:29:25,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:29:25,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:29:25,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:29:25,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:29:25,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:29:25,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:29:25,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:29:25,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:29:25,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:29:25,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:29:25,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:29:25,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:29:25,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:29:25,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:29:25,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:29:25,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:29:25,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:29:25,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:29:25,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:29:25,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:29:25,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:29:25,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:29:25,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:29:25,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:29:25,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:29:25,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:29:25,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:29:25,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:29:25,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:29:25,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:29:25,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:29:25,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:29:25,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:29:25,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:29:25,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:29:25,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:29:25,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:29:25,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:29:25,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:29:25,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:29:25,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:29:25,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:29:25,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:29:25,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:29:25,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:29:25,577   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:29:25,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:29:25,581   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:29:25,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:29:25,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:29:25,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:29:25,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:29:25,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:29:25,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:29:25,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:29:25,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:29:25,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:29:25,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:29:25,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:29:25,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:29:25,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:29:25,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:29:25,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:29:25,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:29:25,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:29:25,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:29:25,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:29:25,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:29:25,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:29:25,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:29:25,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:29:25,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:29:25,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:29:25,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:29:25,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:29:25,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:29:25,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:29:25,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:29:25,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:29:25,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:29:25,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:29:25,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:29:25,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:29:25,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:29:25,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:29:25,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:29:25,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:29:25,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:29:25,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:29:25,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:29:25,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:29:25,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:29:25,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:29:25,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:29:25,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:29:25,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:29:25,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:29:25,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:29:25,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:29:25,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:29:25,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:29:25,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:29:25,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:29:25,694   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:29:25,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:29:25,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:29:25,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:29:25,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:29:25,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:29:25,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:29:25,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:29:25,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:29:25,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:29:25,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:29:25,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:29:25,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:29:25,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:29:25,721   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:29:25,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:29:25,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:29:25,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:29:25,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:29:25,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:29:25,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:29:25,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:29:25,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:29:25,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:29:25,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:29:25,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:29:25,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:29:25,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:29:25,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:29:25,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:29:25,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:29:25,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:29:25,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:29:25,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:29:25,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:29:25,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:29:25,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:29:25,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:29:25,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:29:25,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:29:25,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:29:25,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:29:25,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:29:25,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:29:25,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:29:25,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:29:25,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:29:25,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:29:25,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:29:25,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:29:25,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:29:25,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:29:25,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:29:25,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:29:25,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:29:25,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:29:25,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:29:25,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:29:25,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:29:25,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:29:25,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:29:25,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:29:25,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:29:25,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:29:25,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:29:25,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:29:25,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:29:25,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:29:25,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:29:25,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:29:25,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:29:25,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:29:25,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:29:25,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:29:25,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:29:25,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:29:25,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:29:25,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:29:25,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:29:25,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:29:25,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:29:25,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:29:25,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:29:25,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:29:25,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:29:25,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:29:25,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:29:25,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:29:25,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:29:25,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76
2025-08-31T09:29:25,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:25,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:25,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:29:25,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:29:25,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:29:25,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:29:25,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:29:25,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:29:25,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:29:25,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:29:25,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:29:25,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:29:25,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:29:25,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:29:25,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:29:25,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:29:25,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:29:25,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:29:25,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:29:25,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:29:25,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:25,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:25,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:29:25,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:29:25,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:29:25,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:29:25,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:29:25,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:29:25,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:29:25,938   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:29:25,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:29:25,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:29:25,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:29:25,947   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:29:25,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:25,951   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:25,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:25,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:25,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:25,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:25,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:29:25,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:29:25,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:25,967   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:25,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:25,971   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:25,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:29:25,975   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:29:25,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:25,979   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:25,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:29:25,983   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:29:25,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:29:25,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:29:25,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:29:25,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:29:25,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:29:25,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:29:25,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:25,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:26,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:29:26,003   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:29:26,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:29:26,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:29:26,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:26,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:26,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:29:26,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:29:26,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:29:26,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:29:26,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:29:26,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:29:26,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:29:26,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:29:26,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:26,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:26,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:29:26,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:29:26,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:29:26,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:29:26,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:29:26,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:29:26,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:29:26,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:29:26,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:29:26,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:29:26,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:29:26,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:29:26,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:26,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:26,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:29:26,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:29:26,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:29:26,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:29:26,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:29:26,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:29:26,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:29:26,073   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:29:26,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:29:26,077   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:29:26,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:29:26,081   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:29:26,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:29:26,085   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:29:26,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:29:26,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:29:26,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:29:26,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:29:26,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:29:26,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:29:26,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:26,101   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:26,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:29:26,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:29:26,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:29:26,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:29:26,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:26,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:26,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:29:26,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:29:26,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:29:26,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:29:26,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:26,124   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:26,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:29:26,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:29:26,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:29:26,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:29:26,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:29:26,136   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:29:26,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:29:26,140   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:29:26,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:29:26,144   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:29:26,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:29:26,147   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:29:26,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:26,151   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:26,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:29:26,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:29:26,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:29:26,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:29:26,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:29:26,163   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:29:26,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:29:26,167   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:29:26,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:29:26,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:29:26,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:26,175   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:26,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:29:26,179   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:29:26,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:26,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:26,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:26,187   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:26,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:29:26,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:29:26,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:26,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:26,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:29:26,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:29:26,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:26,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:26,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:29:26,206   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:29:26,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:29:26,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:29:26,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:29:26,214   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:29:26,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:29:26,218   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:29:26,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel
2025-08-31T09:29:26,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:26,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:26,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:29:26,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:29:26,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:26,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:26,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:29:26,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:29:26,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:29:26,240   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:29:26,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:29:26,244   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:29:26,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:26,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:26,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:26,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:26,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:29:26,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:29:26,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:29:26,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:29:26,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:26,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:26,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:29:26,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:29:26,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:29:26,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:29:26,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:26,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:26,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:26,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:26,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:29:26,289   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:29:26,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:29:26,293   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:29:26,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:29:26,297   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:29:26,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:26,301   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:26,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:26,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:26,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:29:26,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:29:26,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:26,314   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:26,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:29:26,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:29:26,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:26,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:26,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:26,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:26,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:29:26,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:29:26,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:29:26,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:29:26,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:29:26,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:29:26,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:29:26,344   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:29:26,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:29:26,348   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:29:26,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:29:26,352   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:29:26,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4
2025-08-31T09:29:26,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:29:26,358   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:29:26,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:26,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:26,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:26,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:26,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:26,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:26,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:26,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:26,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:26,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:26,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:26,382   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:26,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:26,386   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:26,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:26,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:26,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:26,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:26,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:26,398   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:26,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:26,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:26,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:26,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:26,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:26,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:26,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:26,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:26,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:26,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:26,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:26,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:26,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:26,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:26,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:26,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:26,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:26,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:26,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:26,437   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:26,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:26,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:26,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:29:26,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:29:26,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22
2025-08-31T09:29:26,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:29:26,452   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:29:26,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:29:26,456   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:29:26,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:29:26,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:29:26,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:29:26,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:29:26,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:29:26,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:29:26,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:29:26,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:29:26,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:29:26,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:29:26,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:29:26,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:29:26,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:29:26,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:29:26,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:29:26,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:29:26,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:29:26,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:29:26,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:29:26,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:29:26,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:29:26,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:29:26,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:29:26,503   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:29:26,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:29:26,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:29:26,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:29:26,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:29:26,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:29:26,515   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:29:26,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:29:26,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:29:26,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:29:26,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:29:26,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:29:26,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:29:26,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:29:26,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:29:26,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:29:26,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:29:26,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:29:26,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:29:26,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:29:26,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:29:26,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:29:26,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:29:26,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:29:26,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:29:26,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:29:26,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:29:26,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:29:26,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:29:26,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:29:26,563   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:29:26,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:29:26,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:29:26,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:29:26,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:29:26,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:29:26,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:29:26,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:29:26,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:29:26,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:29:26,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:29:26,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:29:26,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:29:26,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:29:26,590   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:29:26,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:29:26,595   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:29:26,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:29:26,599   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:29:26,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:29:26,603   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:29:26,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:29:26,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:29:26,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:29:26,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:29:26,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:29:26,614   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:29:26,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:29:26,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:29:26,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:29:26,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:29:26,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:29:26,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:29:26,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:29:26,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:29:26,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:29:26,634   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:29:26,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:29:26,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:29:26,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:29:26,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:29:26,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:29:26,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:29:26,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:29:26,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:29:26,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:29:26,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:29:26,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:29:26,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:29:26,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:29:26,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:29:26,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:29:26,666   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:29:26,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:29:26,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:29:26,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:29:26,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:29:26,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18
2025-08-31T09:29:26,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:26,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:26,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:26,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:26,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:26,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:26,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:26,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:26,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:26,695   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:26,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:26,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:26,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:26,704   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:26,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:26,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:26,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:26,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:26,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:26,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:26,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:26,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:26,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:26,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:26,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:26,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:26,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:26,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:26,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:26,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:26,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:26,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:26,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:26,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:26,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:26,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:26,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:26,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:26,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:26,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:26,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:26,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:26,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:26,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:26,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:26,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:26,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:26,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:26,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:26,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:26,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:26,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:26,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:26,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:26,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:26,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:26,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC
2025-08-31T09:29:26,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:29:26,793   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:29:26,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:29:26,797   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:29:26,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:29:26,801   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:29:26,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:29:26,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:29:26,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:29:26,810   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:29:26,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:29:26,813   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:29:26,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:29:26,817   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:29:26,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:29:26,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:29:26,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:29:26,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:29:26,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:29:26,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:29:26,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:29:26,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:29:26,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:29:26,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:29:26,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:29:26,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:29:26,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:29:26,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:29:26,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:29:26,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:29:26,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:29:26,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:29:26,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:29:26,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:29:26,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:29:26,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:29:26,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:29:26,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:29:26,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:29:26,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:29:26,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:29:26,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:29:26,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:29:26,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:29:26,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:29:26,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:29:26,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:29:26,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:29:26,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:29:26,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:29:26,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:29:26,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:29:26,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:29:26,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:29:26,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:29:26,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:29:26,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:29:26,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:29:26,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:29:26,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:29:26,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:29:26,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:29:26,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:29:26,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:29:26,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:29:26,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:29:26,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:29:26,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:29:26,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:29:26,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:29:26,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:29:26,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:29:26,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:29:26,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:29:26,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:29:26,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:29:26,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:29:26,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:29:26,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:29:26,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:29:26,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:29:26,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:29:26,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:29:26,957   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:29:26,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:29:26,961   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:29:26,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:29:26,965   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:29:26,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:29:26,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:29:26,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:29:26,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:29:26,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:29:26,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:29:26,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26
2025-08-31T09:29:26,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:29:26,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:29:26,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:26,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:26,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:29:26,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:29:26,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:29:26,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:29:26,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:29:27,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:29:27,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:29:27,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:29:27,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:29:27,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:29:27,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:29:27,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:29:27,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:29:27,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:29:27,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:27,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:27,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:29:27,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:29:27,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:27,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:27,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:29:27,033   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:29:27,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:27,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:27,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:29:27,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:29:27,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:29:27,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:29:27,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:27,055   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:27,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:29:27,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:29:27,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:29:27,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:29:27,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:29:27,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:29:27,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:29:27,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:29:27,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:29:27,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:29:27,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:27,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:27,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:29:27,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:29:27,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:29:27,089   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:29:27,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:29:27,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:29:27,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:29:27,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:29:27,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:29:27,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:29:27,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:29:27,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:29:27,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:27,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:27,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:29:27,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:29:27,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:29:27,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:29:27,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:29:27,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:29:27,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:29:27,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:29:27,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:29:27,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:29:27,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:27,131   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:27,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:29:27,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:29:27,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:29:27,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:29:27,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:29:27,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:29:27,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:29:27,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:29:27,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:29:27,150   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:29:27,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:29:27,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:29:27,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:29:27,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:29:27,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:29:27,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:29:27,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:29:27,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:29:27,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:29:27,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:29:27,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:29:27,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:29:27,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:29:27,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:29:27,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:29:27,182   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:29:27,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:29:27,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:29:27,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:29:27,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:29:27,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:27,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:27,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51
2025-08-31T09:29:27,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:27,200   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:27,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:27,204   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:27,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:27,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:27,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:27,212   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:27,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:29:27,216   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:29:27,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:27,220   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:27,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:27,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:27,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:27,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:27,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:27,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:27,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:29:27,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:29:27,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:29:27,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:29:27,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:27,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:27,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:27,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:27,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:29:27,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:29:27,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:27,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:27,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:27,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:27,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:27,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:27,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:27,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:27,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:27,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:27,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:27,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:27,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:27,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:27,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:27,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:27,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:27,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:27,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:29:27,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:29:27,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:27,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:27,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:27,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:27,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:29:27,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:29:27,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:27,306   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:27,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:29:27,310   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:29:27,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:29:27,313   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:29:27,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:27,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:27,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:27,321   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:27,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:29:27,325   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:29:27,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:27,329   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:27,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:27,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:27,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:27,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:27,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:27,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:27,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:27,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:27,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:27,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:27,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:27,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:27,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:29:27,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:29:27,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:29:27,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:29:27,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:29:27,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:29:27,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:27,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:27,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:27,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:27,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:27,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:27,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:27,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:27,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:27,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:27,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:27,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:27,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:27,395   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:27,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:29:27,399   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:29:27,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:27,403   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:27,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:27,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:27,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:27,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:27,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:27,414   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:27,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:27,418   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:27,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:27,422   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:27,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:27,426   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:27,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:27,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:27,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:27,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:27,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:29:27,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:29:27,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:27,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:27,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:27,446   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:27,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:27,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:27,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:27,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:27,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:27,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:27,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:27,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:27,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:27,464   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:27,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:27,468   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:27,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:27,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:27,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:27,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:27,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:27,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:27,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:29:27,484   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:29:27,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:27,488   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:27,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:29:27,492   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:29:27,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:27,496   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:27,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:27,500   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:27,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:27,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:27,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:29:27,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:29:27,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:27,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:27,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:29:27,516   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:29:27,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:27,519   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:27,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:27,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:27,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:29:27,527   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:29:27,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:27,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:27,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:29:27,536   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:29:27,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:27,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:27,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28
2025-08-31T09:29:27,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:27,546   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:27,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:27,550   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:27,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:27,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:27,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:27,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:27,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:27,561   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:27,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:27,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:27,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:27,568   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:27,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:27,572   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:27,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:27,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:27,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:27,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:27,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:27,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:27,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:27,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:27,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:27,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:27,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:27,596   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:27,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:27,600   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:27,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:27,604   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:27,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:27,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:27,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:27,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:27,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:27,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:27,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:27,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:27,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:27,624   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:27,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:27,628   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:27,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:27,632   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:27,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:27,636   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:27,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:27,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:27,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:27,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:27,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:27,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:27,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:27,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:27,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:27,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:27,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:27,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:27,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:27,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:27,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:27,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:27,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:27,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:27,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:27,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:27,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:27,679   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:27,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:27,683   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:27,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:27,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:27,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:27,690   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:27,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23
2025-08-31T09:29:27,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:29:27,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:29:27,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:29:27,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:29:27,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:29:27,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:29:27,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:29:27,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:29:27,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:29:27,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:29:27,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:29:27,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:29:27,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:29:27,720   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:29:27,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:29:27,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:29:27,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:29:27,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:29:27,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:29:27,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:29:27,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:29:27,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:29:27,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:29:27,739   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:29:27,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:29:27,743   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:29:27,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:29:27,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:29:27,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:29:27,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:29:27,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:29:27,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:29:27,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:29:27,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:29:27,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:29:27,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:29:27,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:29:27,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:29:27,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:29:27,771   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:29:27,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:29:27,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:29:27,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:29:27,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:29:27,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:29:27,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:29:27,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:29:27,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:29:27,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:29:27,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:29:27,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:29:27,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:29:27,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:29:27,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:29:27,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:29:27,803   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:29:27,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:29:27,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:29:27,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:29:27,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:29:27,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:29:27,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:29:27,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:29:27,820   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:29:27,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:29:27,824   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:29:27,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:29:27,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:29:27,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:29:27,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:29:27,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:29:27,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:29:27,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:29:27,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:29:27,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:29:27,843   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:29:27,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:29:27,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:29:27,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:29:27,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:29:27,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:29:27,856   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:29:27,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:29:27,860   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:29:27,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:29:27,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:29:27,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:29:27,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:29:27,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:29:27,873   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:29:27,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:29:27,877   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:29:27,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:29:27,881   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:29:27,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:29:27,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:29:27,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:29:27,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:29:27,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:29:27,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:29:27,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:29:27,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:29:27,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:29:27,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:29:27,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:29:27,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:29:27,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:29:27,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:29:27,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:29:27,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:29:27,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:29:27,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:29:27,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:29:27,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:29:27,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:29:27,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:29:27,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:29:27,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:29:27,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:29:27,933   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:29:27,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:29:27,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:29:27,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:29:27,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:29:27,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:29:27,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:29:27,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:29:27,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:29:27,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:29:27,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:29:27,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:29:27,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:29:27,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:29:27,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:29:27,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:29:27,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:29:27,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:29:27,970   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:29:27,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27
2025-08-31T09:29:27,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:27,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:27,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:27,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:27,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:27,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:27,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:27,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:27,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:27,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:27,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:27,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:27,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:28,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:28,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:28,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:28,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:28,008   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:28,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:28,012   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:28,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:28,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:28,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:28,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:28,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:28,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:28,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:28,029   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:28,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:28,032   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:28,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:28,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:28,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:28,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:28,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:28,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:28,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:28,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:28,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:28,052   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:28,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:28,056   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:28,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:28,060   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:28,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:28,064   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:28,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:28,068   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:28,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:28,072   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:28,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:28,076   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:28,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:28,080   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:28,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:28,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:28,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:28,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:28,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:28,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:28,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:28,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:28,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:28,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:28,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:28,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:28,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:28,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:28,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:28,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:28,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:28,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:28,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:28,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:28,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:28,123   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:28,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:28,128   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:28,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:28,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:28,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13
2025-08-31T09:29:28,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:28,138   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:28,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:28,142   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:28,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:28,146   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:28,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:28,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:28,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:29:28,154   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:29:28,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:28,158   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:28,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:28,162   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:28,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:29:28,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:29:28,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:28,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:28,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:28,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:28,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:29:28,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:29:28,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:28,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:28,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:29:28,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:29:28,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:29:28,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:29:28,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:28,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:28,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:28,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:28,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:29:28,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:29:28,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:28,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:28,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:29:28,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:29:28,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:29:28,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:29:28,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:29:28,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:29:28,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:29:28,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:29:28,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:29:28,225   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:29:28,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:29:28,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:29:28,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:29:28,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:29:28,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:29:28,237   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:29:28,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:29:28,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:29:28,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:28,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:28,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:28,249   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:28,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:28,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:28,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34
2025-08-31T09:29:28,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:29:28,260   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:29:28,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:29:28,264   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:29:28,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:29:28,268   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:29:28,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:29:28,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:29:28,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:29:28,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:29:28,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:29:28,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:29:28,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:29:28,284   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:29:28,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:29:28,288   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:29:28,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:29:28,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:29:28,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:29:28,297   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:29:28,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:29:28,301   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:29:28,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:29:28,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:29:28,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:29:28,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:29:28,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:29:28,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:29:28,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:29:28,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:29:28,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:29:28,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:29:28,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:29:28,324   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:29:28,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:29:28,328   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:29:28,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:29:28,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:29:28,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:29:28,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:29:28,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:29:28,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:29:28,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:29:28,343   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:29:28,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:29:28,347   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:29:28,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:29:28,351   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:29:28,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:29:28,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:29:28,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:29:28,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:29:28,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:29:28,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:29:28,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:29:28,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:29:28,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:29:28,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:29:28,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:29:28,374   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:29:28,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:29:28,378   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:29:28,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:29:28,383   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:29:28,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:29:28,388   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:29:28,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:29:28,392   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:29:28,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:29:28,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:29:28,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:29:28,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:29:28,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:29:28,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:29:28,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:29:28,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:29:28,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:29:28,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:29:28,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:29:28,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:29:28,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:29:28,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:29:28,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:29:28,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:29:28,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:29:28,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:29:28,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:29:28,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:29:28,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:29:28,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:29:28,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:29:28,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:29:28,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:29:28,451   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:29:28,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:29:28,455   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:29:28,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:29:28,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:29:28,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:29:28,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:29:28,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:29:28,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:29:28,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:29:28,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:29:28,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:29:28,475   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:29:28,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:29:28,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:29:28,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:29:28,483   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:29:28,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:29:28,487   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:29:28,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:29:28,490   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:29:28,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:29:28,494   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:29:28,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:29:28,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:29:28,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:29:28,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:29:28,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:29:28,506   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:29:28,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:29:28,510   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:29:28,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:29:28,514   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:29:28,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6
2025-08-31T09:29:28,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:28,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:28,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:28,524   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:28,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:28,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:28,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:28,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:28,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:28,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:28,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:28,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:28,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:28,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:28,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:28,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:28,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:28,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:28,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:28,555   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:28,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:28,559   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:28,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO
2025-08-31T09:29:28,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:29:28,565   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:29:28,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:29:28,569   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:29:28,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:29:28,573   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:29:28,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:29:28,577   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:29:28,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:29:28,581   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:29:28,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:29:28,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:29:28,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:29:28,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:29:28,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:29:28,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:29:28,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:29:28,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:29:28,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:29:28,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:29:28,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP
2025-08-31T09:29:28,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:29:28,608   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:29:28,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:29:28,612   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:29:28,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:29:28,616   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:29:28,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:29:28,620   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:29:28,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:29:28,623   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:29:28,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:28,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:28,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:28,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:28,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:29:28,634   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:29:28,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:29:28,638   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:29:28,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:29:28,642   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:29:28,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:29:28,646   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:29:28,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:28,650   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:28,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:28,654   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:28,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:29:28,658   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:29:28,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:29:28,662   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:29:28,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:29:28,666   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:29:28,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:29:28,670   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:29:28,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:29:28,674   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:29:28,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:28,678   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:28,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:29:28,682   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:29:28,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:29:28,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:29:28,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:29:28,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:29:28,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:29:28,693   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:29:28,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:28,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:28,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:29:28,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:29:28,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:29:28,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:29:28,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:28,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:28,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:28,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:28,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:29:28,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:29:28,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:28,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:28,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:28,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:28,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:29:28,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:29:28,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:29:28,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:29:28,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:29:28,740   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:29:28,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:28,744   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:28,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:29:28,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:29:28,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:29:28,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:29:28,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:29:28,757   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:29:28,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:28,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:28,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:29:28,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:29:28,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:28,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:28,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:28,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:28,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:29:28,777   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:29:28,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:29:28,781   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:29:28,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:29:28,788   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:29:28,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:29:28,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:29:28,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:28,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:28,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:28,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:28,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:28,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:28,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:29:28,809   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:29:28,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:29:28,813   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:29:28,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:29:28,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:29:28,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:29:28,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:29:28,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:29:28,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:29:28,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:29:28,828   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:29:28,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:29:28,832   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:29:28,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:28,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:28,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:28,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:28,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:29:28,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:29:28,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:29:28,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:29:28,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:29:28,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:29:28,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:29:28,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:29:28,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:29:28,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:29:28,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:28,864   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:28,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:29:28,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:29:28,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:28,872   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:28,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:29:28,876   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:29:28,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:29:28,880   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:29:28,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:29:28,885   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:29:28,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:29:28,889   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:29:28,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:28,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:28,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10
2025-08-31T09:29:28,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:28,898   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:28,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:28,902   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:28,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:28,907   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:28,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:28,910   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:28,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:29:28,914   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:29:28,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:28,918   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:28,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:28,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:28,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:28,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:28,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:28,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:28,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:28,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:28,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:28,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:28,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:28,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:28,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:28,945   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:28,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:28,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:28,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:28,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:28,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:28,956   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:28,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:28,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:28,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:28,964   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:28,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:28,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:28,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:28,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:28,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05
2025-08-31T09:29:28,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:28,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:28,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:28,985   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:28,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:29:28,990   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:29:28,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:29:28,994   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:29:28,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:29:28,998   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:29:29,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:29,002   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:29,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:29:29,006   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:29:29,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:29,010   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:29,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:29:29,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:29:29,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:29,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:29,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:29:29,023   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:29:29,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:29:29,027   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:29:29,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:29:29,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:29:29,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:29,035   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:29,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:29,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:29,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:29:29,042   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:29:29,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:29,046   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:29,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:29:29,050   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:29:29,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:29:29,054   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:29:29,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:29:29,058   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:29:29,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:29:29,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:29:29,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:29,066   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:29,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:29,070   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:29,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:29:29,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:29:29,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:29,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:29,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:29:29,082   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:29:29,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:29:29,086   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:29:29,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:29,090   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:29,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:29:29,094   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:29:29,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:29,098   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:29,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:29,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:29,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:29,106   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:29,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:29:29,111   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:29:29,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:29:29,114   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:29:29,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:29,118   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:29,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:29,122   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:29,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:29,126   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:29,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:29:29,130   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:29:29,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:29,134   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:29,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:29,137   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:29,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:29:29,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:29:29,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:29,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:29,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:29:29,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:29:29,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:29,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:29,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:29,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:29,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:29:29,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:29:29,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:29,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:29,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:29,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:29,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:29:29,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:29:29,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:29:29,177   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:29:29,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:29,181   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:29,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:29:29,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:29:29,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:29:29,189   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:29:29,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:29:29,193   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:29:29,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:29,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:29,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:29,201   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:29,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:29:29,205   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:29:29,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:29,209   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:29,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:29,213   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:29,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:29,217   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:29,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:29,221   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:29,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:29,224   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:29,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:29:29,228   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:29:29,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:29,232   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:29,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:29,236   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:29,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:29,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:29,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:29:29,244   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:29:29,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:29:29,248   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:29:29,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:29,252   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:29,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:29,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:29,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:29,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:29,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:29,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:29,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:29:29,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:29:29,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:29:29,271   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:29:29,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:29,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:29,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:29,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:29,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:29:29,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:29:29,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:29,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:29,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:29,290   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:29,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:29:29,294   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:29:29,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:29,298   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:29,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:29,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:29,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:29,305   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:29,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:29,309   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:29,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:29:29,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:29:29,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:29:29,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:29:29,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:29:29,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:29:29,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:29,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:29,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:29,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:29,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:29,334   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:29,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:29:29,340   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:29:29,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:29:29,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:29:29,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:29:29,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:29:29,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:29:29,356   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:29:29,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:29:29,361   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:29:29,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:29,366   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:29,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:29,370   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:29,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:29,376   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:29,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:29:29,380   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:29:29,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:29,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:29,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:29,390   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:29,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:29,394   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:29,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:29:29,399   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:29:29,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:29,410   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:29,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:29,416   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:29,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:29,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:29,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:29,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:29,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:29:29,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:29:29,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:29:29,434   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:29:29,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:29:29,438   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:29:29,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:29:29,442   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:29:29,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:29,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:29,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:29,450   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:29,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:29,454   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:29,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:29,459   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:29,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:29:29,463   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:29:29,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:29:29,467   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:29:29,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:29,472   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:29,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:29,476   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:29,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:29:29,480   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:29:29,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:29,485   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:29,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:29:29,489   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:29:29,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:29,493   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:29,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:29,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:29,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:29:29,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:29:29,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:29:29,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:29:29,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:29,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:29,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:29,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:29,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:29,523   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:29,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:29,528   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:29,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:29,532   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:29,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:29,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:29,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:29,540   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:29,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:29,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:29,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:29:29,548   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:29:29,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:29,552   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:29,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:29,556   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:29,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:29,560   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:29,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:29,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:29,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:29,568   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:29,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:29,572   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:29,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:29:29,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:29:29,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:29:29,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:29:29,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:29:29,584   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:29:29,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:29,588   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:29,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:29,592   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:29,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:29:29,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:29:29,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:29:29,601   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:29:29,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:29,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:29,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:29,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:29,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:29:29,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:29:29,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:29,617   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:29,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:29,621   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:29,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:29:29,625   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:29:29,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:29:29,629   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:29:29,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:29:29,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:29:29,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:29:29,637   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:29:29,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:29,641   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:29,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:29:29,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:29:29,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:29:29,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:29:29,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:29,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:29,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:29,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:29,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:29,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:29,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:29:29,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:29:29,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:29,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:29,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:29,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:29,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:29:29,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:29:29,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:29:29,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:29:29,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:29:29,685   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:29:29,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:29:29,689   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:29:29,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59
2025-08-31T09:29:29,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:29,697   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:29,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:29,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:29,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:29,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:29,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:29,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:29,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:29,714   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:29,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:29,718   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:29,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:29,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:29,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:29,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:29,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:29,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:29,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:29:29,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:29:29,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:29:29,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:29:29,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:29,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:29,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:29,747   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:29,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:29,751   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:29,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:29,755   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:29,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:29,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:29,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:29,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:29,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:29,769   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:29,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:29,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:29,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:29,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:29,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:29,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:29,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:29,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:29,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:29,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:29,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:29,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:29,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:29,804   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:29,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:29,808   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:29,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:29,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:29,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:29,816   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:29,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:29,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:29,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:29:29,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:29:29,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:29,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:29,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:29,835   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:29,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:29,839   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:29,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:29:29,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:29:29,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:29,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:29,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:29,852   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:29,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:29,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:29,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:29,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:29,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:29,868   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:30,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:30,087   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:30,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:30,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:30,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:30,099   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:30,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:30,105   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:30,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:30,109   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:30,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:30,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:30,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:30,117   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:30,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:30,121   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:30,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:30,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:30,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:30,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:30,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:29:30,133   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:29:30,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:30,137   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:30,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:30,141   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:30,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:29:30,145   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:29:30,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:30,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:30,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:30,153   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:30,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:30,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:30,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:30,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:30,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:30,166   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:30,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:30,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:30,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:30,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:30,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:30,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:30,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:30,183   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:30,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:30,186   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:30,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:30,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:30,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:30,195   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:30,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:30,198   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:30,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:30,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:30,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:30,207   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:30,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:30,210   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:30,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:30,215   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:30,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:30,219   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:30,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:30,223   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:30,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:30,227   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:30,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:29:30,231   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:29:30,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:30,235   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:30,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:30,239   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:30,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:30,243   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:30,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:29:30,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:29:30,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:30,251   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:30,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:30,255   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:30,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:30,259   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:30,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:30,263   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:30,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:30,267   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:30,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:30,272   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:30,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:30,276   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:30,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:30,279   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:30,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:30,283   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:30,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:30,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:30,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:29:30,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:29:30,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:30,295   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:30,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:30,299   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:30,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:30,303   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:30,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:29:30,307   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:29:30,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:30,311   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:30,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:30,315   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:30,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:30,319   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:30,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:30,323   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:30,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:29:30,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:29:30,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:30,331   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:30,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:30,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:30,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:30,341   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:30,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:30,345   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:30,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:30,349   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:30,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:30,354   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:30,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:29:30,358   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:29:30,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF
2025-08-31T09:29:30,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:30,364   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:30,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:30,368   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:30,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:30,373   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:30,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:30,377   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:30,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:30,381   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:30,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:30,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:30,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:30,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:30,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:30,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:30,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:30,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:30,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:30,401   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:30,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:30,405   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:30,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:29:30,409   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:29:30,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:30,413   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:30,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:30,417   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:30,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:30,421   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:30,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:30,425   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:30,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:30,429   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:30,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:29:30,433   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:29:30,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC
2025-08-31T09:29:30,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:30,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:30,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:29:30,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:29:30,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:29:30,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:29:30,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:30,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:30,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:30,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:30,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:30,460   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:30,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:30,465   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:30,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:30,469   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:30,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:29:30,473   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:29:30,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:30,479   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:30,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:30,486   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:30,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:30,491   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:30,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:30,495   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:30,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:30,499   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:30,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:30,504   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:30,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:30,508   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:30,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:30,512   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:30,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:30,517   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:30,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:30,520   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:30,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:30,525   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:30,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:30,529   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:30,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:30,533   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:30,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:30,537   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:30,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:29:30,541   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:29:30,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:30,545   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:30,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:30,549   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:30,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:29:30,553   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:29:30,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:30,557   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:30,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:30,562   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:30,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:30,566   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:30,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:30,570   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:30,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:30,574   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:30,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:30,578   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:30,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:30,582   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:30,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:29:30,586   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:29:30,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:30,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:30,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:30,594   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:30,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:30,598   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:30,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:30,602   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:30,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:30,606   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:30,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:29:30,610   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:29:30,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:30,614   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:30,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:30,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:30,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:29:30,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:29:30,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:30,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:30,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:30,630   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:30,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:30,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:30,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:30,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:30,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:29:30,643   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:29:30,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:29:30,647   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:29:30,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:30,651   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:30,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:30,655   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:30,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:30,659   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:30,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:30,663   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:30,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:30,667   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:30,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:30,671   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:30,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:30,675   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:30,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:30,680   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:30,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:30,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:30,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:30,687   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:30,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:30,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:30,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:30,700   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:30,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:30,704   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:30,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:30,708   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:30,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:30,712   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:30,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:30,716   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:30,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:30,720   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:30,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:30,725   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:30,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:30,729   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:30,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:29:30,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:29:30,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:29:30,737   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:29:30,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:30,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:30,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:30,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:30,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:30,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:30,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:30,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:30,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:30,758   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:30,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:30,762   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:30,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:30,766   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:30,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:30,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:30,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:30,775   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:30,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:29:30,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:29:30,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:30,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:30,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:29:30,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:29:30,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:29:30,791   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:29:30,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:30,795   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:30,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:30,799   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:30,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC
2025-08-31T09:29:30,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:30,805   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:30,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:29:30,809   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:29:30,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:29:30,813   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:29:30,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:30,817   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:30,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:29:30,821   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:29:30,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:30,825   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:30,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:30,829   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:30,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:30,833   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:30,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:30,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:30,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:30,841   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:30,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:29:30,845   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:29:30,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:30,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:30,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:30,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:30,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:30,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:30,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:30,861   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:30,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:30,865   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:30,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:30,869   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:30,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:30,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:30,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:30,878   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:30,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:30,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:30,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:30,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:30,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6
2025-08-31T09:29:30,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:30,895   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:30,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:30,900   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:30,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:30,904   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:30,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:30,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:30,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:30,915   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:30,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:30,920   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:30,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:30,925   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:30,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:30,929   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:30,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:30,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:30,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:30,944   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:30,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:30,949   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:30,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:30,953   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:30,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP
2025-08-31T09:29:30,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:29:30,960   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:29:30,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:29:30,965   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:29:30,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:29:30,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:29:30,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:29:30,974   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:29:30,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:29:30,978   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:29:30,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:30,982   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:30,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:30,986   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:30,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:29:30,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:29:30,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:30,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:30,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:29:30,999   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:29:31,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:31,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:31,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:29:31,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:29:31,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:29:31,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:29:31,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL
2025-08-31T09:29:31,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:31,234   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:31,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:31,241   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:31,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:31,247   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:31,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:31,253   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:31,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:31,258   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:31,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:31,262   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:31,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:31,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:31,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:31,269   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:31,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:31,274   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:31,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:31,278   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:31,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:31,282   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:31,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:31,287   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:31,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:31,292   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:31,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:31,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:31,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:31,300   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:31,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:31,304   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:31,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:31,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:31,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:31,312   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:31,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:31,316   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:31,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:31,320   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:31,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:31,326   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:31,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:31,330   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:31,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:31,335   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:31,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:31,339   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:31,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:31,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:31,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:31,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:31,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:31,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:31,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:31,354   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:31,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:31,358   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:31,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:31,362   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:31,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:31,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:31,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:31,371   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:31,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:31,375   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:31,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:31,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:31,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:31,384   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:31,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:31,387   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:31,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:31,391   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:31,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:31,396   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:31,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:31,400   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:31,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:31,404   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:31,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:31,408   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:31,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:31,412   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:31,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:31,416   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:31,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:31,420   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:31,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:31,424   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:31,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:31,428   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:31,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:31,432   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:31,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:31,436   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:31,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:31,441   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:31,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:31,445   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:31,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:31,449   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:31,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:31,453   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:31,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:31,457   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:31,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:31,461   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:31,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:31,465   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:31,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:31,471   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:31,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:31,477   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:31,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:31,481   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:31,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:31,486   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:31,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:31,490   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:31,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:31,494   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:31,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:31,498   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:31,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:31,502   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:31,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:31,507   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:31,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:31,511   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:31,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10
2025-08-31T09:29:31,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:31,518   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:31,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:31,522   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:31,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:31,526   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:31,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:31,531   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:31,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:31,535   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:31,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:31,539   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:31,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:31,543   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:31,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:31,547   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:31,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:31,551   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:31,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:31,556   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:31,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:31,560   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:31,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:31,564   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:31,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:31,568   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:31,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:31,572   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:31,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:31,576   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:31,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:31,580   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:31,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:31,585   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:31,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:31,589   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:31,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:31,593   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:31,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:31,597   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:31,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4
2025-08-31T09:29:31,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:31,605   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:31,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:31,609   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:31,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:31,613   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:31,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:31,618   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:31,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:31,622   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:31,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:31,626   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:31,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:31,631   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:31,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:31,635   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:31,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:31,640   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:31,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:31,644   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:31,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:31,648   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:31,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:31,652   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:31,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:31,656   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:31,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:31,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:31,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:31,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:31,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:31,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:31,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:31,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:31,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:31,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:31,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:31,681   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:31,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:31,686   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:31,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:31,690   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:31,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:31,694   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:31,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:31,698   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:31,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:31,703   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:31,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:31,707   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:31,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:31,711   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:31,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:31,715   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:31,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:31,719   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:31,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:31,724   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:31,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:31,728   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:31,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:31,732   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:31,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:31,736   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:31,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:31,741   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:31,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:31,745   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:31,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:31,749   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:31,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:31,753   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:31,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:31,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:31,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:31,765   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:31,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:31,770   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:31,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:31,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:31,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:31,779   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:31,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:31,783   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:31,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:31,787   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:31,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:31,792   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:31,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:31,796   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:31,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:31,800   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:31,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:31,806   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:31,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:31,812   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:31,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:31,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:31,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:31,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:31,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:31,837   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:31,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:31,842   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:31,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:31,848   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:31,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:31,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:31,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:31,858   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:31,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:31,863   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:31,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:31,867   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:31,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:31,871   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:31,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:31,875   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:31,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:31,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:31,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:31,883   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:31,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:31,887   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:31,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:31,892   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:31,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:31,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:31,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:31,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:31,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:31,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:31,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:31,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:31,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:31,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:31,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:31,917   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:31,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:31,921   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:31,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:31,924   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:31,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:31,928   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:31,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:31,932   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:31,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:31,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:31,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:31,942   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:31,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:31,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:31,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:31,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:31,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:31,955   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:31,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:31,959   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:31,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:31,963   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:31,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:31,968   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:31,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:31,972   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:31,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:31,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:31,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:31,981   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:31,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:31,987   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:31,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:31,991   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:31,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:31,995   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:31,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:32,000   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:32,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:32,004   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:32,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:32,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:32,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:32,013   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:32,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:32,017   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:32,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:32,021   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:32,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:32,025   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:32,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:32,030   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:32,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:32,034   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:32,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:32,038   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:32,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:32,043   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:32,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:32,048   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:32,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:32,054   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:32,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23
2025-08-31T09:29:32,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:29:32,062   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:29:32,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:29:32,067   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:29:32,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:29:32,071   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:29:32,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:29:32,075   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:29:32,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:29:32,079   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:29:32,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:29:32,084   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:29:32,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:29:32,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:29:32,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:29:32,092   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:29:32,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:29:32,096   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:29:32,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:29:32,100   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:29:32,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:29:32,104   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:29:32,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:29:32,108   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:29:32,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:29:32,113   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:29:32,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:29:32,119   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:29:32,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:29:32,127   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:29:32,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:29:32,132   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:29:32,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:29:32,137   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:29:32,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:29:32,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:29:32,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:29:32,149   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:29:32,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:29:32,155   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:29:32,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:29:32,159   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:29:32,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:29:32,164   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:29:32,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:29:32,169   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:29:32,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:29:32,173   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:29:32,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF
2025-08-31T09:29:32,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:29:32,180   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:29:32,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:29:32,184   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:29:32,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:29:32,188   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:29:32,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:29:32,192   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:29:32,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:29:32,197   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:29:32,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:29:32,202   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:29:32,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:29:32,208   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:29:32,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:29:32,245   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:29:32,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:29:32,250   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:29:32,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:29:32,256   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:29:32,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:29:32,260   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:29:32,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:29:32,265   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:29:32,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:29:32,270   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:29:32,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:29:32,275   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:29:32,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:29:32,280   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:29:32,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:29:32,286   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:29:32,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:29:32,291   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:29:32,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:29:32,296   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:29:32,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:29:32,302   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:29:32,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:29:32,308   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:29:32,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:29:32,317   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:29:32,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:29:32,322   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:29:32,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:29:32,327   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:29:32,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:29:32,332   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:29:32,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:29:32,337   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:29:32,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:29:32,342   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:29:32,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:29:32,346   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:29:32,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:29:32,350   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:29:32,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:29:32,355   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:29:32,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:29:32,359   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:29:32,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:29:32,363   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:29:32,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:29:32,367   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:29:32,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:29:32,372   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:29:32,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:29:32,379   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:29:32,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:29:32,385   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:29:32,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:29:32,389   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:29:32,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:29:32,393   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:29:32,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:29:32,397   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:29:32,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:29:32,402   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:29:32,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:29:32,406   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:29:32,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:29:32,627   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:29:32,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:29:32,633   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:29:32,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:29:32,639   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:29:32,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:29:32,645   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:29:32,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:29:32,649   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:29:32,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:29:32,653   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:29:32,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:29:32,657   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:29:32,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:29:32,661   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:29:32,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:29:32,665   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:29:32,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:29:32,669   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:29:32,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:29:32,673   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:29:32,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:29:32,677   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:29:32,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21
2025-08-31T09:29:32,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:32,684   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:32,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:32,688   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:32,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:29:32,692   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:29:32,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:29:32,696   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:29:32,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:32,701   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:32,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:32,705   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:32,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:29:32,709   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:29:32,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:29:32,713   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:29:32,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:29:32,717   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:29:32,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:29:32,722   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:29:32,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:29:32,726   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:29:32,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:32,730   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:32,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:32,734   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:32,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:32,738   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:32,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:29:32,742   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:29:32,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:32,746   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:32,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:29:32,750   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:29:32,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:32,754   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:32,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:29:32,759   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:29:32,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:32,763   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:32,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:29:32,767   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:29:32,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA
2025-08-31T09:29:32,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:32,774   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:32,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:32,778   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:32,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:32,782   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:32,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:32,786   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:32,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:32,790   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:32,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:32,794   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:32,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:32,798   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:32,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:32,802   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:32,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:32,807   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:32,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:32,811   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:32,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:32,815   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:32,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:32,819   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:32,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:32,823   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:32,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:32,827   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:32,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:32,831   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:32,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:32,836   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:32,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:32,840   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:32,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:32,844   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:32,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:32,849   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:32,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:32,853   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:32,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:32,857   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:32,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:32,862   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:32,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:32,866   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:32,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:32,870   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:32,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:32,874   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:32,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:32,879   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:32,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:32,884   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:32,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:32,888   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:32,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:32,893   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:32,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:32,897   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:32,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:32,901   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:32,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:32,905   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:32,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:32,909   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:32,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:32,913   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:32,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:32,918   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:32,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:32,922   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:32,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:32,926   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:32,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:32,930   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:32,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:32,934   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:32,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:32,937   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:32,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:32,941   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:32,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:32,946   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:32,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:32,950   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:32,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:32,954   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:32,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:32,958   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:32,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:32,962   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:32,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:32,966   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:32,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:32,969   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:32,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:32,973   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:32,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:32,977   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:32,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24
2025-08-31T09:29:32,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:32,984   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:32,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:32,988   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:32,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:32,992   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:32,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:32,996   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:32,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:33,001   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:33,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:33,005   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:33,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:33,009   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:33,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:33,014   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:33,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:33,018   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:33,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:33,022   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:33,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:33,026   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:33,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:33,031   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:33,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:33,036   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:33,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:33,040   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:33,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:33,044   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:33,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:33,049   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:33,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:33,053   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:33,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:33,057   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:33,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:33,061   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:33,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:33,065   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:33,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:33,069   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:33,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:33,074   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:33,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:33,078   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:33,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:33,083   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:33,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:33,088   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:33,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:33,093   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:33,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:33,097   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:33,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:33,102   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:33,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:33,107   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:33,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:33,112   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:33,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:33,116   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:33,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:33,120   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:33,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:33,125   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:33,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:33,129   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:33,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:33,135   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:33,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:33,139   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:33,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:33,143   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:33,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:33,148   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:33,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:33,152   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:33,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:33,157   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:33,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:33,161   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:33,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:33,165   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:33,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:33,170   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:33,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:33,174   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:33,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:33,178   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:33,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:33,185   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:33,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:33,190   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:33,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:33,194   copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:33,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES
2025-08-31T09:29:33,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18
2025-08-31T09:29:33,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:33,206   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:33,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:33,210   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:33,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:33,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:33,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:33,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:33,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:33,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:33,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:33,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:33,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:33,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:33,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:33,235   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:33,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:33,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:33,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:33,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:33,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:33,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:33,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:33,252   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:33,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:33,256   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:33,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:33,260   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:33,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:33,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:33,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:33,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:33,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:33,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:33,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:33,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:33,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:33,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:33,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:33,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:33,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:33,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:33,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:33,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:33,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:33,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:33,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:33,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:33,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:33,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:33,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:33,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:33,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:33,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:33,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:33,316   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:33,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:33,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:33,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11
2025-08-31T09:29:33,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:29:33,329   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:29:33,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:29:33,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:29:33,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:29:33,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:29:33,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:29:33,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:29:33,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:29:33,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:29:33,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:29:33,348   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:29:33,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:29:33,353   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:29:33,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:29:33,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:29:33,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:29:33,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:29:33,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:29:33,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:29:33,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:29:33,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:29:33,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:29:33,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:29:33,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:33,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:33,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:29:33,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:29:33,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:33,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:33,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:29:33,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:29:33,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:29:33,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:29:33,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:33,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:33,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:29:33,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:29:33,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:29:33,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:29:33,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:33,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:33,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:29:33,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:29:33,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:29:33,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:29:33,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:33,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:33,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:29:33,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:29:33,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:29:33,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:29:33,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:29:33,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:29:33,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:29:33,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:29:33,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:29:33,441   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:29:33,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:29:33,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:29:33,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:29:33,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:29:33,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:29:33,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:29:33,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:33,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:33,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:29:33,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:29:33,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:33,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:33,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:29:33,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:29:33,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:33,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:33,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:29:33,476   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:29:33,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:29:33,480   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:29:33,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:33,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:33,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:33,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:33,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:29:33,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:29:33,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:33,496   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:33,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:29:33,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:29:33,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:33,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:33,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:33,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:33,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:29:33,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:29:33,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:29:33,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:29:33,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:33,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:33,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:29:33,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:29:33,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:29:33,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:29:33,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:29:33,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:29:33,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:29:33,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:29:33,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:29:33,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:29:33,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:33,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:33,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:29:33,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:29:33,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:29:33,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:29:33,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:29:33,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:29:33,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:29:33,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:29:33,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:29:33,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:29:33,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:29:33,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:29:33,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:29:33,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:29:33,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:33,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:33,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:29:33,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:29:33,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:29:33,585   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:29:33,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:29:33,589   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:29:33,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:29:33,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:29:33,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:29:33,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:29:33,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:33,601   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:33,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:29:33,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:29:33,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:29:33,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:29:33,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:29:33,612   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:29:33,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:29:33,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:29:33,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:29:33,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:29:33,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:29:33,625   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:29:33,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:33,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:33,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:29:33,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:29:33,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:29:33,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:29:33,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:33,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:33,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:33,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:33,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:33,649   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:33,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:29:33,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:29:33,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:29:33,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:29:33,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:29:33,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:29:33,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:29:33,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:29:33,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:33,669   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:33,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:29:33,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:29:33,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:29:33,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:29:33,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:33,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:33,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:33,685   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:33,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:29:33,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:29:33,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:29:33,692   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:29:33,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:29:33,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:29:33,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:33,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:33,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:29:33,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:29:33,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:33,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:33,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:29:33,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:29:33,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:29:33,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:29:33,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:29:33,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:29:33,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:29:33,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:29:33,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:29:33,728   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:29:33,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:29:33,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:29:33,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:29:33,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:29:33,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:29:33,741   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:29:33,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:33,745   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:33,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:29:33,749   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:29:33,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:33,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:33,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:29:33,757   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:29:33,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:29:33,761   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:29:33,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:33,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:33,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:29:33,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:29:33,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:33,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:33,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:29:33,776   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:29:33,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:33,780   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:33,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:29:33,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:29:33,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:33,789   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:33,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:29:33,793   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:29:33,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:29:33,796   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:29:33,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:29:33,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:29:33,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:29:33,804   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:29:33,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:29:33,808   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:29:33,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:33,812   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:33,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:33,816   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:33,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:29:33,820   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:29:33,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:33,824   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:33,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:29:33,828   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:29:33,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:29:33,832   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:29:33,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:29:33,836   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:29:33,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:33,840   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:33,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:33,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:33,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:29:33,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:29:33,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:29:33,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:29:33,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:29:33,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:29:33,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:29:33,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:29:33,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:29:33,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:29:33,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:29:33,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:29:33,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:29:33,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:29:33,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:33,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:33,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:29:33,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:29:33,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:33,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:33,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:29:33,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:29:33,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:29:33,892   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:29:33,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:29:33,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:29:33,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:33,900   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:33,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:29:33,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:29:33,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:29:33,908   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:29:33,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:33,912   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:33,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:29:33,917   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:29:33,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:29:33,921   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:29:33,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:29:33,925   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:29:33,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:33,929   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:33,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:33,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:33,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20
2025-08-31T09:29:33,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:29:33,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:29:33,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:29:33,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:29:33,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:29:33,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:29:33,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:29:33,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:29:33,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:29:33,956   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:29:33,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:29:33,960   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:29:33,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:29:33,964   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:29:33,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:29:33,968   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:29:33,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:29:33,972   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:29:33,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:29:33,976   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:29:33,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:29:33,980   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:29:33,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:29:33,984   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:29:33,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:29:33,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:29:33,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:29:33,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:29:33,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:29:33,996   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:29:33,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:29:34,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:29:34,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:29:34,004   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:29:34,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:29:34,008   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:29:34,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:29:34,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:29:34,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:29:34,016   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:29:34,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:29:34,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:29:34,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:29:34,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:29:34,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:29:34,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:29:34,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:29:34,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:29:34,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:29:34,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:29:34,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:29:34,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:29:34,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:29:34,044   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:29:34,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:29:34,048   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:29:34,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:29:34,052   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:29:34,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:29:34,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:29:34,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:29:34,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:29:34,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:29:34,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:29:34,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:29:34,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:29:34,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:29:34,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:29:34,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:29:34,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:29:34,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:29:34,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:29:34,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI
2025-08-31T09:29:34,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:29:34,088   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:29:34,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:34,092   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:34,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:34,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:34,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:34,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:34,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:29:34,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:29:34,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:34,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:34,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:34,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:34,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:34,116   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:34,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:34,120   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:34,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:34,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:34,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:29:34,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:29:34,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:34,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:34,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:34,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:34,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:34,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:34,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:34,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:34,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:34,148   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:34,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:34,152   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:34,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:34,156   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:34,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:34,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:34,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:34,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:34,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:34,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:34,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:34,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:34,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:34,178   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:34,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:34,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:34,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:34,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:34,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:34,190   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:34,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:34,194   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:34,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:34,198   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:34,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:34,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:34,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:34,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:34,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:34,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:34,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:34,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:34,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:34,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:34,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:34,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:34,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:34,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:34,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:29:34,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:29:34,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:34,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:34,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:34,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:34,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:34,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:34,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:29:34,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:29:34,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:29:34,254   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:29:34,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:34,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:34,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:34,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:34,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:34,266   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:34,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:34,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:34,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:34,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:34,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:34,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:34,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:34,282   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:34,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:34,287   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:34,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:34,291   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:34,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:34,295   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:34,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:34,299   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:34,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:34,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:34,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:34,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:34,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:34,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:34,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:34,316   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:34,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:34,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:34,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:34,324   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:34,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:29:34,328   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:29:34,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:34,332   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:34,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:29:34,336   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:29:34,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC
2025-08-31T09:29:34,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:29:34,342   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:29:34,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:29:34,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:29:34,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:29:34,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:29:34,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:29:34,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:29:34,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:29:34,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:29:34,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:29:34,362   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:29:34,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:29:34,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:29:34,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:29:34,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:29:34,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:29:34,374   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:29:34,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:29:34,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:29:34,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:29:34,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:29:34,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:29:34,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:29:34,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:29:34,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:29:34,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:34,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:34,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:29:34,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:29:34,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:29:34,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:29:34,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:29:34,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:29:34,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:34,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:34,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:29:34,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:29:34,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:29:34,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:29:34,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:29:34,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:29:34,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:29:34,427   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:29:34,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13
2025-08-31T09:29:34,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:29:34,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:29:34,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:34,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:34,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:34,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:34,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:34,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:34,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:34,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:34,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:34,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:34,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:34,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:34,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:34,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:34,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:34,466   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:34,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:29:34,470   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:29:34,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:29:34,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:29:34,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:34,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:34,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:34,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:34,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:29:34,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:29:34,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:34,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:34,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:34,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:34,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:29:34,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:29:34,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:34,503   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:34,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:34,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:34,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:34,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:34,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:34,514   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:34,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:34,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:34,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:34,522   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:34,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:29:34,526   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:29:34,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:29:34,530   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:29:34,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:34,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:34,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:34,538   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:34,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:29:34,542   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:29:34,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:34,546   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:34,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6
2025-08-31T09:29:34,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:29:34,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:29:34,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:29:34,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:29:34,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:29:34,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:29:34,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:29:34,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:29:34,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:29:34,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:29:34,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:29:34,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:29:34,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:29:34,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:29:34,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:29:34,580   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:29:34,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:29:34,584   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:29:34,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:29:34,588   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:29:34,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:29:34,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:29:34,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:29:34,596   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:29:34,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:29:34,600   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:29:34,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:29:34,604   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:29:34,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:29:34,608   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:29:34,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:29:34,612   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:29:34,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:29:34,616   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:29:34,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:29:34,620   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:29:34,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15
2025-08-31T09:29:34,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:29:34,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:29:34,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:29:34,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:29:34,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:29:34,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:29:34,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:29:34,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:29:34,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:29:34,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:29:34,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:29:34,647   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:29:34,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:29:34,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:29:34,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:29:34,655   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:29:34,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:29:34,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:29:34,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:29:34,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:29:34,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:29:34,667   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:29:34,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:29:34,671   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:29:34,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:29:34,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:29:34,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:29:34,679   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:29:34,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:29:34,684   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:29:34,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:29:34,691   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:29:34,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:29:34,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:29:34,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:29:34,699   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:29:34,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:29:34,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:29:34,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:29:34,707   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:29:34,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:29:34,711   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:29:34,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:29:34,715   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:29:34,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:29:34,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:29:34,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:29:34,723   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:29:34,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:29:34,728   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:29:34,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF
2025-08-31T09:29:34,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:34,734   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:34,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:34,738   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:34,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:34,742   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:34,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:34,746   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:34,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:34,750   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:34,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:34,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:34,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:34,758   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:34,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:34,762   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:34,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:34,767   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:34,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:34,771   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:34,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:34,775   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:34,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:34,779   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:34,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:34,784   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:34,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:34,788   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:34,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:34,792   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:34,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:34,796   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:34,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:34,800   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:34,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:34,805   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:34,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:34,809   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:34,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:34,813   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:34,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:34,817   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:34,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:34,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:34,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:34,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:34,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:34,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:34,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:34,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:34,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:34,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:34,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:34,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:34,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21
2025-08-31T09:29:34,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:29:34,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:29:34,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:29:34,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:29:34,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:29:34,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:29:34,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:29:34,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:29:34,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:29:34,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:29:34,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:29:34,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:29:34,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:29:34,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:29:34,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:29:34,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:29:34,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:29:34,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:29:34,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:29:34,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:29:34,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:29:34,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:29:34,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:29:34,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:29:34,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:29:34,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:29:34,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:29:34,900   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:29:34,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:29:34,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:29:34,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:29:34,908   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:29:34,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:29:34,912   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:29:34,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:29:34,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:29:34,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:29:34,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:29:34,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:29:34,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:29:34,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:29:34,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:29:34,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:29:34,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:29:34,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:29:34,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:29:34,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:29:34,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:29:34,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:29:34,944   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:29:34,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:29:34,948   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:29:34,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:29:34,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:29:34,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:29:34,956   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:29:34,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:29:34,960   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:29:34,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:29:34,964   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:29:34,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:29:34,968   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:29:34,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:29:34,972   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:29:34,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:29:34,976   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:29:34,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:29:34,980   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:29:34,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:29:34,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:29:34,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:29:34,989   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:29:34,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:29:34,993   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:29:34,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:29:34,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:29:35,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:29:35,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:29:35,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:29:35,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:29:35,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:29:35,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:29:35,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27
2025-08-31T09:29:35,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:35,015   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:35,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:35,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:35,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:35,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:35,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:35,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:35,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:35,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:35,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:35,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:35,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:35,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:35,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:35,044   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:35,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:29:35,048   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:29:35,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:35,052   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:35,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:35,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:35,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:35,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:35,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:35,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:35,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:35,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:35,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:35,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:35,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:35,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:35,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:35,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:35,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:35,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:35,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:35,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:35,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:35,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:35,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:35,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:35,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:35,102   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:35,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:35,106   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:35,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:29:35,110   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:29:35,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:35,114   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:35,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:35,118   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:35,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:35,123   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:35,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:35,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:35,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:35,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:35,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:35,135   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:35,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10
2025-08-31T09:29:35,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:35,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:35,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:35,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:35,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:35,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:35,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:35,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:35,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:35,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:35,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:35,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:35,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:35,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:35,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:35,169   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:35,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:35,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:35,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:35,176   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:35,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:35,180   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:35,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:35,184   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:35,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:35,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:35,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:35,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:35,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:35,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:35,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:35,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:35,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:35,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:35,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:35,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:35,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:35,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:35,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:35,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:35,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36
2025-08-31T09:29:35,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:29:35,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:29:35,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:29:35,225   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:29:35,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:29:35,229   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:29:35,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:29:35,233   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:29:35,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:35,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:35,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:29:35,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:29:35,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:29:35,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:29:35,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:29:35,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:29:35,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:29:35,252   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:29:35,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:29:35,256   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:29:35,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:29:35,260   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:29:35,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:29:35,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:29:35,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:29:35,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:29:35,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:29:35,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:29:35,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:29:35,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:29:35,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:29:35,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:29:35,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:29:35,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:29:35,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:29:35,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:29:35,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:29:35,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:29:35,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:29:35,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:29:35,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:29:35,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:29:35,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:29:35,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:29:35,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:29:35,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:29:35,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:29:35,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:29:35,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:29:35,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:29:35,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:29:35,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:29:35,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:29:35,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:29:35,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:29:35,329   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:29:35,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:29:35,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:29:35,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:29:35,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:29:35,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:29:35,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:29:35,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:29:35,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:29:35,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:29:35,349   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:29:35,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:29:35,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:29:35,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:29:35,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:29:35,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:29:35,362   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:29:35,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:29:35,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:29:35,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:29:35,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:29:35,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24
2025-08-31T09:29:35,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:35,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:35,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:35,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:35,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:29:35,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:29:35,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:29:35,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:29:35,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:35,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:35,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:35,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:35,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:35,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:35,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:35,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:35,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:35,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:35,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:29:35,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:29:35,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:35,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:35,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:35,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:35,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:35,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:35,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:35,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:35,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:35,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:35,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:35,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:35,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:35,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:35,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:35,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:35,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:35,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:35,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:35,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:35,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:29:35,460   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:29:35,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:35,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:35,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:35,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:35,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:35,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:35,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:35,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:35,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:35,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:35,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:35,489   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:35,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:35,493   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:35,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:29:35,498   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:29:35,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:35,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:35,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:35,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:35,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:29:35,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:29:35,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:35,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:35,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:35,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:35,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:35,525   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:35,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:29:35,529   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:29:35,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:35,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:35,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:35,539   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:35,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:35,543   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:35,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:35,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:35,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:29:35,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:29:35,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:29:35,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:29:35,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:35,562   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:35,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:35,567   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:35,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:29:35,571   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:29:35,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:35,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:35,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:35,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:35,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:35,585   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:35,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43
2025-08-31T09:29:35,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:29:35,593   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:29:35,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:35,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:35,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:35,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:35,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:29:35,606   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:29:35,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:29:35,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:29:35,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:29:35,615   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:29:35,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:35,619   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:35,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:29:35,624   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:29:35,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:29:35,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:29:35,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:29:35,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:29:35,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:29:35,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:29:35,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:29:35,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:29:35,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:29:35,646   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:29:35,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:29:35,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:29:35,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:29:35,655   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:29:35,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:29:35,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:29:35,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:35,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:35,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:35,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:35,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:29:35,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:29:35,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:29:35,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:29:35,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:29:35,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:29:35,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:29:35,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:29:35,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:29:35,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:29:35,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:29:35,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:29:35,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:29:35,698   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:29:35,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:29:35,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:29:35,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:29:35,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:29:35,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:29:35,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:29:35,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:29:35,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:29:35,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:29:35,717   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:29:35,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:29:35,721   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:29:35,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:29:35,725   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:29:35,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:29:35,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:29:35,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:29:35,733   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:29:35,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:29:35,737   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:29:35,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:29:35,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:29:35,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:29:35,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:29:35,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:29:35,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:29:35,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:29:35,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:29:35,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:29:35,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:29:35,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:29:35,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:29:35,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:29:35,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:29:35,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:29:35,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:29:35,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:35,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:35,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:35,776   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:35,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:35,779   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:35,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:35,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:35,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:29:35,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:29:35,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:29:35,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:29:35,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:29:35,795   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:29:35,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:29:35,799   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:29:35,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:29:35,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:29:35,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:29:35,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:29:35,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:29:35,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:29:35,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:29:35,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:29:35,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:29:35,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:29:35,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:29:35,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:29:35,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:29:35,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:29:35,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43
2025-08-31T09:29:35,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:29:35,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:29:35,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:29:35,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:29:35,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:29:35,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:29:35,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:29:35,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:29:35,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:29:35,849   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:29:35,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:29:35,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:29:35,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:29:35,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:29:35,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:29:35,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:29:35,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:29:35,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:29:35,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:29:35,869   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:29:35,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:29:35,873   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:29:35,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:29:35,877   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:29:35,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:29:35,881   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:29:35,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:29:35,885   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:29:35,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:29:35,889   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:29:35,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:29:35,893   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:29:35,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:29:35,897   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:29:35,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:29:35,901   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:29:35,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:29:35,905   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:29:35,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:29:35,909   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:29:35,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:29:35,913   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:29:35,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:29:35,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:29:35,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:29:35,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:29:35,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:29:35,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:29:35,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:29:35,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:29:35,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:29:35,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:29:35,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:29:35,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:29:35,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:29:35,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:29:35,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:29:35,944   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:29:35,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:29:35,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:29:35,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:29:35,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:29:35,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:29:35,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:29:35,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:29:35,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:29:35,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:29:35,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:29:35,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:29:35,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:29:35,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:29:35,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:29:35,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:29:35,975   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:29:35,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:29:35,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:29:35,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:29:35,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:29:35,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:29:35,986   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:29:35,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:29:35,990   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:29:35,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:29:35,994   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:29:35,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:29:35,998   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:29:36,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:29:36,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:29:36,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:29:36,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:29:36,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:29:36,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:29:36,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:29:36,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:29:36,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:29:36,018   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:29:36,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:29:36,022   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:29:36,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:29:36,026   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:29:36,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:29:36,030   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:29:36,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:29:36,034   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:29:36,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:29:36,038   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:29:36,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:29:36,042   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:29:36,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:29:36,046   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:29:36,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:29:36,050   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:29:36,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:29:36,054   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:29:36,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:29:36,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:29:36,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:29:36,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:29:36,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:29:36,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:29:36,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:29:36,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:29:36,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:29:36,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:29:36,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:29:36,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:29:36,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:29:36,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:29:36,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:29:36,085   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:29:36,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:29:36,089   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:29:36,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:29:36,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:29:36,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:29:36,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:29:36,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:29:36,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:29:36,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:29:36,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:29:36,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:29:36,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:29:36,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:29:36,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:29:36,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:29:36,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:29:36,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:29:36,120   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:29:36,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:29:36,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:29:36,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:29:36,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:29:36,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:29:36,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:29:36,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:29:36,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:29:36,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:29:36,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:29:36,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:29:36,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:29:36,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:29:36,148   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:29:36,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:29:36,152   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:29:36,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:29:36,155   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:29:36,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:29:36,159   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:29:36,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:29:36,163   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:29:36,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:29:36,167   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:29:36,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:29:36,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:29:36,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:29:36,175   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:29:36,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18
2025-08-31T09:29:36,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:29:36,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:29:36,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:29:36,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:29:36,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:29:36,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:29:36,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:29:36,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:29:36,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:36,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:36,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:29:36,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:29:36,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:29:36,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:29:36,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:29:36,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:29:36,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:29:36,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:29:36,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:29:36,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:29:36,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:36,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:36,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:29:36,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:29:36,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:29:36,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:29:36,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:29:36,235   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:29:36,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:29:36,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:29:36,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:29:36,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:29:36,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:29:36,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:29:36,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:29:36,251   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:29:36,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:29:36,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:29:36,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:36,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:36,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:29:36,263   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:29:36,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:29:36,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:29:36,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:36,271   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:36,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:29:36,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:29:36,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:29:36,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:29:36,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8
2025-08-31T09:29:36,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:36,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:36,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:29:36,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:29:36,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:36,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:36,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:36,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:36,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:36,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:36,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:29:36,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:29:36,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:36,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:36,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:36,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:36,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:29:36,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:29:36,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:29:36,319   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:29:36,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:36,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:36,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:29:36,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:29:36,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:29:36,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:29:36,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:29:36,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:29:36,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:29:36,338   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:29:36,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:36,342   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:36,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:36,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:36,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF
2025-08-31T09:29:36,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:29:36,352   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:29:36,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:29:36,356   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:29:36,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:29:36,360   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:29:36,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:29:36,364   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:29:36,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:29:36,368   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:29:36,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:29:36,372   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:29:36,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:29:36,376   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:29:36,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:29:36,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:29:36,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:29:36,383   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:29:36,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:29:36,387   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:29:36,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:29:36,391   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:29:36,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:29:36,395   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:29:36,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:29:36,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:29:36,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:29:36,403   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:29:36,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:29:36,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:29:36,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:29:36,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:29:36,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:29:36,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:29:36,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:29:36,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:29:36,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:29:36,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:29:36,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16
2025-08-31T09:29:36,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:29:36,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:29:36,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:29:36,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:29:36,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:29:36,436   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:29:36,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:29:36,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:29:36,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:29:36,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:29:36,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:29:36,448   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:29:36,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:29:36,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:29:36,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:29:36,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:29:36,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:29:36,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:29:36,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:29:36,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:29:36,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:29:36,468   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:29:36,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:29:36,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:29:36,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:29:36,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:29:36,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:29:36,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:29:36,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:29:36,483   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:29:36,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:29:36,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:29:36,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:29:36,491   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:29:36,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:29:36,494   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:29:36,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:29:36,501   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:29:36,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:29:36,505   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:29:36,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:29:36,509   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:29:36,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:29:36,513   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:29:36,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:29:36,517   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:29:36,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:29:36,521   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:29:36,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:29:36,525   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:29:36,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:29:36,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:29:36,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:29:36,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:29:36,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:29:36,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:29:36,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:29:36,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:29:36,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:29:36,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:29:36,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:29:36,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:29:36,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:29:36,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:29:36,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:29:36,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:29:36,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:29:36,559   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:29:36,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:29:36,563   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:29:36,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:29:36,567   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:29:36,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:29:36,571   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:29:36,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:29:36,575   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:29:36,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:29:36,579   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:29:36,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:29:36,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:29:36,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:29:36,587   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:29:36,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:29:36,591   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:29:36,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:29:36,595   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:29:36,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:29:36,599   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:29:36,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:29:36,604   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:29:36,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:29:36,608   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:29:36,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:29:36,611   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:29:36,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:29:36,615   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:29:36,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21
2025-08-31T09:29:36,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:29:36,622   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:29:36,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:29:36,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:29:36,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:29:36,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:29:36,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:29:36,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:29:36,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:29:36,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:29:36,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:29:36,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:29:36,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:29:36,646   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:29:36,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:29:36,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:29:36,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:29:36,654   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:29:36,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:29:36,658   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:29:36,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:29:36,662   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:29:36,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:29:36,666   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:29:36,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:29:36,669   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:29:36,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:29:36,673   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:29:36,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:29:36,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:29:36,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:29:36,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:29:36,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:29:36,685   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:29:36,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:29:36,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:29:36,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:29:36,693   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:29:36,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:29:36,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:29:36,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:29:36,701   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:29:36,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:29:36,705   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:29:36,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:29:36,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:29:36,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:29:36,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:29:36,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:29:36,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:29:36,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:29:36,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:29:36,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:29:36,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:29:36,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:29:36,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:29:36,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:29:36,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:29:36,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:29:36,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:29:36,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:29:36,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:29:36,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:29:36,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:29:36,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:29:36,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:29:36,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:29:36,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:29:36,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:29:36,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:29:36,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:29:36,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:29:36,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:29:36,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:29:36,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:29:36,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:29:36,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:29:36,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:29:36,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:29:36,775   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:29:36,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:29:36,779   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:29:36,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:29:36,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:29:36,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:29:36,786   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:29:36,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:29:36,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:29:36,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:29:36,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:29:36,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:29:36,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:29:36,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:29:36,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:29:36,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:29:36,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:29:36,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:29:36,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:29:36,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:29:36,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:29:36,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:29:36,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:29:36,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:29:36,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:29:36,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:29:36,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:29:36,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:29:36,831   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:29:36,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:29:36,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:29:36,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:29:36,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:29:36,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:29:36,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:29:36,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:29:36,846   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:29:36,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:29:36,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:29:36,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:29:36,854   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:29:36,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:29:36,858   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:29:36,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:29:36,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:29:36,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:29:36,865   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:29:36,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12
2025-08-31T09:29:36,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:36,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:36,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:36,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:36,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:36,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:36,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:36,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:36,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:36,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:36,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:36,892   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:36,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:36,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:36,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:36,900   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:36,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:36,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:36,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:36,908   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:36,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:36,912   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:36,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:36,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:36,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:36,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:36,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:36,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:36,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:36,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:36,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:36,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:36,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:36,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:36,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:36,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:36,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:36,944   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:36,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:36,948   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:36,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:36,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:36,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:36,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:36,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:36,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:36,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:36,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:36,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:36,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:36,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:36,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:36,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:36,976   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:36,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:36,980   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:36,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:36,984   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:36,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:36,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:36,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:36,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:36,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:36,996   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:36,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:37,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:37,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:37,004   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:37,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:37,008   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:37,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:37,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:37,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11
2025-08-31T09:29:37,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:37,018   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:37,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:37,022   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:37,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:37,026   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:37,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:37,030   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:37,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:37,034   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:37,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:37,038   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:37,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:37,042   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:37,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:37,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:37,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:37,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:37,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:37,055   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:37,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:37,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:37,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:37,063   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:37,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:37,066   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:37,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:37,070   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:37,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:37,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:37,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:37,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:37,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:37,085   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:37,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:37,089   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:37,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:37,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:37,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:37,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:37,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:37,103   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:37,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:37,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:37,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66
2025-08-31T09:29:37,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:29:37,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:29:37,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:29:37,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:29:37,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:29:37,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:29:37,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:29:37,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:29:37,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:29:37,133   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:29:37,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:29:37,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:29:37,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:29:37,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:29:37,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:29:37,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:29:37,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:29:37,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:29:37,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:29:37,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:29:37,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:29:37,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:29:37,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:29:37,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:29:37,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:29:37,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:29:37,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:29:37,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:29:37,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:29:37,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:29:37,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:29:37,178   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:29:37,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:29:37,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:29:37,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:29:37,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:29:37,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:29:37,190   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:29:37,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:29:37,194   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:29:37,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:29:37,198   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:29:37,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:29:37,202   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:29:37,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:29:37,206   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:29:37,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:29:37,210   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:29:37,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:29:37,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:29:37,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:29:37,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:29:37,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:29:37,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:29:37,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:29:37,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:29:37,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:29:37,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:29:37,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:29:37,332   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:29:37,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:29:37,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:29:37,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:29:37,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:29:37,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:29:37,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:29:37,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:29:37,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:29:37,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:29:37,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:29:37,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:29:37,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:29:37,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:29:37,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:29:37,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:29:37,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:29:37,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:29:37,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:29:37,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:29:37,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:29:37,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:29:37,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:29:37,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:29:37,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:29:37,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:29:37,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:29:37,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:29:37,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:29:37,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:29:37,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:29:37,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:29:37,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:29:37,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:29:37,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:29:37,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:29:37,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:29:37,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:29:37,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:29:37,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:29:37,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:29:37,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:29:37,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:29:37,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:29:37,420   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:29:37,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:29:37,424   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:29:37,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:29:37,428   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:29:37,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:29:37,432   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:29:37,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:29:37,436   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:29:37,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:29:37,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:29:37,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:29:37,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:29:37,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:29:37,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:29:37,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:29:37,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:29:37,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:29:37,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:29:37,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:29:37,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:29:37,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:29:37,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:29:37,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:29:37,468   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:29:37,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:29:37,472   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:29:37,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:29:37,476   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:29:37,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:29:37,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:29:37,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:29:37,483   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:29:37,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:29:37,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:29:37,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:29:37,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:29:37,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:29:37,496   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:29:37,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:29:37,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:29:37,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:29:37,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:29:37,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:29:37,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:29:37,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:29:37,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:29:37,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:29:37,517   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:29:37,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:29:37,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:29:37,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:29:37,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:29:37,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:29:37,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:29:37,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:29:37,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:29:37,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:29:37,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:29:37,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:29:37,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:29:37,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:29:37,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:29:37,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:29:37,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:29:37,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:29:37,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:29:37,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:29:37,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:29:37,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:29:37,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:29:37,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:29:37,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:29:37,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:29:37,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:29:37,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:29:37,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:29:37,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:29:37,578   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:29:37,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:29:37,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:29:37,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:29:37,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:29:37,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:29:37,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:29:37,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:29:37,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:29:37,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:29:37,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:29:37,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:29:37,601   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:29:37,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:29:37,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:29:37,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:29:37,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:29:37,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:29:37,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:29:37,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:29:37,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:29:37,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:29:37,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:29:37,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:29:37,625   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:29:37,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:29:37,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:29:37,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:29:37,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:29:37,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:29:37,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:29:37,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:29:37,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:29:37,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:29:37,646   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:29:37,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:29:37,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:29:37,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:29:37,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:29:37,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:29:37,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:29:37,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:29:37,661   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:29:37,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:29:37,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:29:37,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:29:37,669   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:29:37,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:29:37,673   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:29:37,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:29:37,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:29:37,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:29:37,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:29:37,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:29:37,685   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:29:37,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:29:37,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:29:37,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:29:37,693   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:29:37,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:29:37,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:29:37,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:29:37,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:29:37,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:29:37,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:29:37,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:29:37,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:29:37,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:29:37,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:29:37,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:29:37,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:29:37,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:29:37,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:29:37,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:29:37,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:29:37,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:29:37,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:29:37,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:29:37,733   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:29:37,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:29:37,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:29:37,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:29:37,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:29:37,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:29:37,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:29:37,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:29:37,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:29:37,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:29:37,751   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:29:37,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:29:37,755   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:29:37,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:29:37,759   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:29:37,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:29:37,763   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:29:37,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:29:37,766   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:29:37,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:29:37,770   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:29:37,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:29:37,774   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:29:37,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:29:37,778   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:29:37,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:29:37,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:29:37,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:29:37,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:29:37,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:29:37,789   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:29:37,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:29:37,793   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:29:37,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:29:37,797   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:29:37,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:29:37,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:29:37,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:29:37,805   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:29:37,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:29:37,809   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:29:37,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:29:37,813   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:29:37,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:29:37,817   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:29:37,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:29:37,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:29:37,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:29:37,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:29:37,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:29:37,828   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:29:37,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:29:37,832   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:29:37,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:29:37,836   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:29:37,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:29:37,840   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:29:37,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:29:37,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:29:37,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:29:37,849   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:29:37,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:29:37,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:29:37,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:29:37,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:29:37,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:29:37,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:29:37,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:29:37,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:29:37,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:29:37,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:29:37,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:29:37,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:29:37,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:29:37,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:29:37,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:29:37,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:29:37,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:29:37,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:29:37,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:29:37,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:29:37,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:29:37,892   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:29:37,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:29:37,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:29:37,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:29:37,900   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:29:37,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:29:37,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:29:37,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:29:37,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:29:37,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:29:37,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:29:37,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:29:37,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:29:37,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:29:37,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:29:37,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:29:37,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:29:37,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:29:37,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:29:37,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:29:37,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:29:37,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:29:37,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:29:37,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:29:37,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:29:37,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:29:37,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:29:37,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:29:37,946   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:29:37,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:29:37,950   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:29:37,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:29:37,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:29:37,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:29:37,958   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:29:37,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:29:37,962   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:29:37,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:29:38,021   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:29:38,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:29:38,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:29:38,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:29:38,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:29:38,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:29:38,031   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:29:38,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:29:38,035   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:29:38,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:29:38,039   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:29:38,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:29:38,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:29:38,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:29:38,046   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:29:38,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:29:38,050   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:29:38,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76
2025-08-31T09:29:38,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:38,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:38,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:29:38,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:29:38,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:29:38,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:29:38,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:29:38,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:29:38,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:29:38,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:29:38,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:29:38,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:29:38,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:29:38,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:29:38,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:29:38,085   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:29:38,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:29:38,089   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:29:38,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:29:38,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:29:38,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:38,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:38,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:29:38,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:29:38,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:29:38,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:29:38,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:29:38,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:29:38,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:29:38,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:29:38,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:29:38,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:29:38,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:29:38,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:29:38,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:38,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:38,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:38,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:38,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:38,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:38,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:29:38,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:29:38,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:38,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:38,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:38,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:38,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:29:38,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:29:38,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:38,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:38,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:29:38,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:29:38,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:29:38,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:29:38,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:29:38,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:29:38,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:29:38,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:29:38,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:38,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:38,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:29:38,176   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:29:38,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:29:38,179   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:29:38,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:38,183   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:38,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:29:38,187   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:29:38,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:29:38,191   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:29:38,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:29:38,195   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:29:38,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:29:38,199   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:29:38,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:38,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:38,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:29:38,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:29:38,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:29:38,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:29:38,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:29:38,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:29:38,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:29:38,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:29:38,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:29:38,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:29:38,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:29:38,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:29:38,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:38,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:38,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:29:38,235   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:29:38,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:29:38,238   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:29:38,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:29:38,242   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:29:38,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:29:38,246   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:29:38,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:29:38,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:29:38,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:29:38,254   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:29:38,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:29:38,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:29:38,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:29:38,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:29:38,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:29:38,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:29:38,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:29:38,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:29:38,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:38,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:38,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:29:38,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:29:38,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:29:38,282   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:29:38,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:38,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:38,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:29:38,290   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:29:38,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:29:38,294   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:29:38,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:38,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:38,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:29:38,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:29:38,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:29:38,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:29:38,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:29:38,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:29:38,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:29:38,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:29:38,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:29:38,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:29:38,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:29:38,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:29:38,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:38,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:38,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:29:38,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:29:38,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:29:38,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:29:38,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:29:38,338   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:29:38,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:29:38,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:29:38,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:29:38,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:29:38,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:38,349   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:38,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:29:38,353   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:29:38,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:38,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:38,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:38,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:38,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:29:38,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:29:38,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:38,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:38,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:29:38,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:29:38,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:38,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:38,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:29:38,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:29:38,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:29:38,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:29:38,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:29:38,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:29:38,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:29:38,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:29:38,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel
2025-08-31T09:29:38,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:38,399   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:38,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:29:38,403   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:29:38,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:38,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:38,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:29:38,411   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:29:38,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:29:38,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:29:38,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:29:38,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:29:38,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:38,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:38,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:38,427   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:38,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:29:38,431   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:29:38,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:29:38,435   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:29:38,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:38,439   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:38,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:29:38,443   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:29:38,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:29:38,447   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:29:38,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:38,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:38,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:38,454   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:38,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:29:38,458   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:29:38,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:29:38,462   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:29:38,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:29:38,466   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:29:38,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:38,470   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:38,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:38,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:38,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:29:38,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:29:38,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:38,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:38,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:29:38,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:29:38,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:38,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:38,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:38,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:38,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:29:38,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:29:38,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:29:38,503   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:29:38,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:29:38,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:29:38,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:29:38,510   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:29:38,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:29:38,514   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:29:38,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:29:38,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:29:38,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4
2025-08-31T09:29:38,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:29:38,525   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:29:38,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:38,529   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:38,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:38,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:38,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:38,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:38,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:38,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:38,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:38,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:38,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:38,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:38,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:38,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:38,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:38,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:38,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:38,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:38,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:38,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:38,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:38,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:38,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:38,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:38,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:38,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:38,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:38,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:38,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:38,585   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:38,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:38,589   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:38,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:38,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:38,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:38,596   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:38,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:38,600   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:38,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:38,604   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:38,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:38,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:38,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:29:38,612   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:29:38,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22
2025-08-31T09:29:38,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:29:38,619   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:29:38,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:29:38,623   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:29:38,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:29:38,627   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:29:38,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:29:38,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:29:38,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:29:38,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:29:38,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:29:38,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:29:38,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:29:38,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:29:38,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:29:38,646   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:29:38,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:29:38,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:29:38,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:29:38,655   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:29:38,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:29:38,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:29:38,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:29:38,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:29:38,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:29:38,667   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:29:38,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:29:38,671   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:29:38,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:29:38,674   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:29:38,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:29:38,678   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:29:38,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:29:38,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:29:38,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:29:38,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:29:38,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:29:38,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:29:38,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:29:38,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:29:38,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:29:38,698   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:29:38,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:29:38,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:29:38,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:29:38,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:29:38,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:29:38,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:29:38,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:29:38,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:29:38,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:29:38,718   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:29:38,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:29:38,722   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:29:38,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:29:38,726   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:29:38,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:29:38,730   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:29:38,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:29:38,734   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:29:38,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:29:38,738   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:29:38,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:29:38,742   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:29:38,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:29:38,746   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:29:38,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:29:38,750   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:29:38,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:29:38,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:29:38,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:29:38,757   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:29:38,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:29:38,761   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:29:38,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:29:38,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:29:38,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:29:38,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:29:38,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:29:38,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:29:38,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:29:38,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:29:38,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:29:38,782   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:29:38,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:29:38,786   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:29:38,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:29:38,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:29:38,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:29:38,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:29:38,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:29:38,797   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:29:38,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:29:38,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:29:38,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:29:38,805   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:29:38,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:29:38,809   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:29:38,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:29:38,813   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:29:38,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:29:38,817   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:29:38,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:29:38,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:29:38,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:29:38,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:29:38,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:29:38,829   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:29:38,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:29:38,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:29:38,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:29:38,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:29:38,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:29:38,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:29:38,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18
2025-08-31T09:29:38,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:38,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:38,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:38,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:38,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:38,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:38,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:38,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:38,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:38,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:38,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:38,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:38,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:38,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:38,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:38,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:38,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:38,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:38,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:38,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:38,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:38,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:38,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:38,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:38,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:38,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:38,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:38,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:38,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:38,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:38,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:38,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:38,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:38,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:38,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:38,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:38,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:38,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:38,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:38,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:38,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:38,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:38,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:38,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:38,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:38,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:38,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:38,938   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:38,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:38,942   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:38,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:38,946   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:38,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:38,950   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:38,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:38,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:38,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC
2025-08-31T09:29:38,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:29:38,961   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:29:38,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:29:38,964   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:29:38,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:29:38,968   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:29:38,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:29:38,972   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:29:38,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:29:38,976   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:29:38,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:29:38,980   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:29:38,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:29:38,984   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:29:38,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:29:38,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:29:38,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:29:38,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:29:38,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:29:38,996   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:29:38,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:29:39,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:29:39,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:29:39,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:29:39,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:29:39,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:29:39,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:29:39,013   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:29:39,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:29:39,017   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:29:39,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:29:39,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:29:39,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:29:39,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:29:39,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:29:39,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:29:39,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:29:39,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:29:39,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:29:39,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:29:39,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:29:39,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:29:39,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:29:39,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:29:39,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:29:39,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:29:39,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:29:39,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:29:39,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:29:39,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:29:39,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:29:39,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:29:39,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:29:39,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:29:39,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:29:39,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:29:39,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:29:39,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:29:39,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:29:39,078   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:29:39,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:29:39,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:29:39,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:29:39,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:29:39,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:29:39,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:29:39,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:29:39,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:29:39,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:29:39,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:29:39,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:29:39,103   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:29:39,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:29:39,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:29:39,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:29:39,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:29:39,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:29:39,116   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:29:39,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:29:39,120   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:29:39,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:29:39,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:29:39,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:29:39,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:29:39,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:29:39,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:29:39,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:29:39,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:29:39,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:29:39,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:29:39,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:29:39,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:29:39,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:29:39,148   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:29:39,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26
2025-08-31T09:29:39,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:29:39,154   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:29:39,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:39,158   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:39,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:29:39,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:29:39,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:29:39,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:29:39,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:29:39,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:29:39,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:29:39,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:29:39,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:29:39,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:29:39,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:29:39,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:29:39,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:29:39,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:29:39,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:39,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:39,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:29:39,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:29:39,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:39,197   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:39,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:29:39,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:29:39,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:39,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:39,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:29:39,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:29:39,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:29:39,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:29:39,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:39,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:39,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:29:39,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:29:39,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:29:39,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:29:39,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:29:39,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:29:39,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:29:39,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:29:39,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:29:39,235   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:29:39,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:39,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:39,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:29:39,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:29:39,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:29:39,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:29:39,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:29:39,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:29:39,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:29:39,254   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:29:39,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:29:39,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:29:39,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:29:39,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:29:39,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:39,266   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:39,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:29:39,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:29:39,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:29:39,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:29:39,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:29:39,277   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:29:39,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:29:39,281   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:29:39,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:29:39,285   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:29:39,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:39,289   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:39,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:29:39,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:29:39,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:29:39,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:29:39,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:29:39,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:29:39,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:29:39,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:29:39,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:29:39,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:29:39,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:29:39,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:29:39,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:29:39,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:29:39,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:29:39,319   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:29:39,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:29:39,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:29:39,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:29:39,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:29:39,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:29:39,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:29:39,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:29:39,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:29:39,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:29:39,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:29:39,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:29:39,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:29:39,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:29:39,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:29:39,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:39,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:39,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51
2025-08-31T09:29:39,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:39,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:39,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:39,362   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:39,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:39,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:39,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:39,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:39,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:29:39,374   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:29:39,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:39,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:39,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:39,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:39,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:39,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:39,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:39,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:39,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:29:39,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:29:39,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:29:39,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:29:39,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:39,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:39,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:39,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:39,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:29:39,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:29:39,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:39,414   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:39,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:39,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:39,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:39,422   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:39,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:39,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:39,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:39,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:39,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:39,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:39,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:39,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:39,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:39,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:39,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:39,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:39,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:29:39,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:29:39,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:39,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:39,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:39,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:39,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:29:39,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:29:39,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:39,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:39,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:29:39,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:29:39,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:29:39,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:29:39,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:39,477   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:39,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:39,481   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:39,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:29:39,485   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:29:39,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:39,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:39,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:39,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:39,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:39,496   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:39,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:39,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:39,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:39,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:39,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:39,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:39,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:39,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:39,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:29:39,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:29:39,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:29:39,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:29:39,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:29:39,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:29:39,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:39,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:39,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:39,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:39,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:39,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:39,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:39,539   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:39,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:39,543   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:39,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:39,547   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:39,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:39,551   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:39,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:29:39,555   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:29:39,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:39,559   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:39,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:39,563   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:39,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:39,567   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:39,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:39,571   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:39,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:39,575   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:39,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:39,579   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:39,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:39,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:39,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:39,587   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:39,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:39,591   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:39,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:29:39,595   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:29:39,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:39,599   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:39,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:39,603   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:39,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:39,607   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:39,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:39,611   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:39,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:39,615   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:39,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:39,619   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:39,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:39,623   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:39,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:39,627   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:39,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:39,631   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:39,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:39,636   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:39,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:39,640   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:39,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:29:39,644   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:29:39,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:39,648   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:39,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:29:39,651   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:29:39,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:39,656   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:39,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:39,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:39,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:39,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:39,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:29:39,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:29:39,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:39,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:39,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:29:39,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:29:39,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:39,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:39,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:39,685   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:39,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:29:39,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:29:39,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:39,693   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:39,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:29:39,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:29:39,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:39,701   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:39,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28
2025-08-31T09:29:39,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:39,707   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:39,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:39,711   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:39,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:39,715   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:39,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:39,719   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:39,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:39,723   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:39,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:39,727   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:39,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:39,731   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:39,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:39,735   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:39,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:39,739   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:39,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:39,743   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:39,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:39,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:39,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:39,751   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:39,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:39,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:39,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:39,759   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:39,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:39,763   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:39,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:39,767   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:39,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:39,770   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:39,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:39,775   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:39,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:39,779   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:39,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:39,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:39,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:39,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:39,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:39,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:39,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:39,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:39,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:39,799   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:39,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:39,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:39,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:39,807   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:39,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:39,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:39,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:39,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:39,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:39,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:39,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:39,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:39,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:39,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:39,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:39,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:39,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:39,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:39,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:39,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:39,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:39,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:39,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:39,846   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:39,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:39,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:39,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:39,854   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:39,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23
2025-08-31T09:29:39,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:29:39,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:29:39,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:29:39,865   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:29:39,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:29:39,869   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:29:39,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:29:39,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:29:39,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:29:39,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:29:39,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:29:39,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:29:39,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:29:39,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:29:39,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:29:39,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:29:39,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:29:39,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:29:39,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:29:39,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:29:39,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:29:39,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:29:39,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:29:39,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:29:39,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:29:39,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:29:39,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:29:39,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:29:39,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:29:39,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:29:39,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:29:39,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:29:39,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:29:39,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:29:39,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:29:39,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:29:39,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:29:39,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:29:39,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:29:39,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:29:39,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:29:39,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:29:39,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:29:39,945   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:29:39,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:29:39,949   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:29:39,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:29:39,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:29:39,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:29:39,958   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:29:39,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:29:39,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:29:39,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:29:39,968   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:29:39,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:29:39,973   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:29:39,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:29:39,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:29:39,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:29:39,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:29:39,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:29:39,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:29:39,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:29:39,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:29:39,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:29:39,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:29:40,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:29:40,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:29:40,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:29:40,007   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:29:40,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:29:40,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:29:40,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:29:40,017   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:29:40,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:29:40,022   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:29:40,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:29:40,027   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:29:40,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:29:40,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:29:40,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:29:40,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:29:40,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:29:40,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:29:40,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:29:40,046   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:29:40,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:29:40,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:29:40,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:29:40,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:29:40,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:29:40,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:29:40,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:29:40,066   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:29:40,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:29:40,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:29:40,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:29:40,076   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:29:40,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:29:40,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:29:40,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:29:40,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:29:40,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:29:40,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:29:40,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:29:40,095   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:29:40,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:29:40,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:29:40,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:29:40,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:29:40,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:29:40,110   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:29:40,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:29:40,115   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:29:40,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:29:40,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:29:40,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:29:40,126   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:29:40,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:29:40,130   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:29:40,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:29:40,134   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:29:40,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:29:40,138   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:29:40,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:29:40,142   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:29:40,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:29:40,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:29:40,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:29:40,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:29:40,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:29:40,155   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:29:40,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:29:40,159   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:29:40,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:29:40,163   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:29:40,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:29:40,167   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:29:40,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27
2025-08-31T09:29:40,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:40,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:40,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:40,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:40,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:40,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:40,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:40,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:40,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:40,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:40,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:40,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:40,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:40,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:40,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:40,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:40,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:40,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:40,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:40,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:40,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:40,213   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:40,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:40,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:40,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:40,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:40,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:40,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:40,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:40,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:40,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:40,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:40,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:40,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:40,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:40,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:40,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:40,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:40,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:40,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:40,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:40,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:40,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:40,257   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:40,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:40,261   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:40,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:40,265   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:40,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:40,269   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:40,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:40,273   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:40,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:40,277   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:40,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:40,281   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:40,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:40,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:40,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:40,290   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:40,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:40,294   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:40,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:40,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:40,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:40,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:40,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:40,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:40,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:40,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:40,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:40,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:40,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:40,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:40,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:40,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:40,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:40,325   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:40,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:40,329   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:40,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13
2025-08-31T09:29:40,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:40,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:40,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:40,340   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:40,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:40,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:40,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:40,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:40,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:29:40,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:29:40,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:40,355   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:40,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:40,359   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:40,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:29:40,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:29:40,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:40,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:40,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:40,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:40,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:29:40,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:29:40,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:40,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:40,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:29:40,383   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:29:40,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:29:40,387   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:29:40,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:40,391   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:40,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:40,396   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:40,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:29:40,399   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:29:40,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:40,403   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:40,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:29:40,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:29:40,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:29:40,412   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:29:40,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:29:40,416   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:29:40,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:29:40,420   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:29:40,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:29:40,424   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:29:40,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:29:40,428   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:29:40,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:29:40,432   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:29:40,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:29:40,436   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:29:40,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:29:40,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:29:40,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:40,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:40,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:40,448   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:40,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:40,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:40,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34
2025-08-31T09:29:40,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:29:40,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:29:40,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:29:40,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:29:40,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:29:40,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:29:40,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:29:40,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:29:40,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:29:40,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:29:40,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:29:40,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:29:40,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:29:40,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:29:40,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:29:40,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:29:40,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:29:40,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:29:40,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:29:40,494   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:29:40,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:29:40,498   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:29:40,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:29:40,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:29:40,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:29:40,506   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:29:40,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:29:40,510   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:29:40,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:29:40,514   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:29:40,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:29:40,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:29:40,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:29:40,522   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:29:40,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:29:40,526   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:29:40,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:29:40,529   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:29:40,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:29:40,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:29:40,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:29:40,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:29:40,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:29:40,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:29:40,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:29:40,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:29:40,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:29:40,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:29:40,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:29:40,554   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:29:40,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:29:40,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:29:40,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:29:40,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:29:40,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:29:40,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:29:40,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:29:40,570   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:29:40,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:29:40,574   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:29:40,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:29:40,578   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:29:40,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:29:40,582   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:29:40,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:29:40,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:29:40,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:29:40,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:29:40,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:29:40,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:29:40,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:29:40,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:29:40,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:29:40,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:29:40,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:29:40,606   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:29:40,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:29:40,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:29:40,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:29:40,614   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:29:40,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:29:40,618   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:29:40,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:29:40,623   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:29:40,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:29:40,627   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:29:40,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:29:40,631   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:29:40,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:29:40,635   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:29:40,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:29:40,639   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:29:40,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:29:40,643   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:29:40,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:29:40,647   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:29:40,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:29:40,651   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:29:40,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:29:40,655   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:29:40,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:29:40,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:29:40,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:29:40,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:29:40,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:29:40,667   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:29:40,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:29:40,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:29:40,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:29:40,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:29:40,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:29:40,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:29:40,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:29:40,684   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:29:40,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:29:40,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:29:40,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:29:40,692   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:29:40,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:29:40,696   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:29:40,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:29:40,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:29:40,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:29:40,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:29:40,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:29:40,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:29:40,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6
2025-08-31T09:29:40,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:40,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:40,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:40,718   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:40,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:40,722   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:40,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:40,726   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:40,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:40,730   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:40,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:40,734   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:40,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:40,738   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:40,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:40,742   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:40,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:40,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:40,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:40,751   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:40,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:40,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:40,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO
2025-08-31T09:29:40,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:29:40,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:29:40,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:29:40,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:29:40,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:29:40,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:29:40,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:29:40,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:29:40,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:29:40,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:29:40,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:29:40,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:29:40,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:29:40,786   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:29:40,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:29:40,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:29:40,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:29:40,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:29:40,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:29:40,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:29:40,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP
2025-08-31T09:29:40,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:29:40,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:29:40,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:29:40,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:29:40,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:29:40,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:29:40,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:29:40,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:29:40,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:29:40,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:29:40,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:40,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:40,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:40,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:40,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:29:40,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:29:40,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:29:40,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:29:40,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:29:40,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:29:40,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:29:40,846   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:29:40,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:40,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:40,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:40,854   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:40,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:29:40,858   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:29:40,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:29:40,863   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:29:40,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:29:40,867   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:29:40,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:29:40,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:29:40,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:29:40,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:29:40,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:40,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:40,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:29:40,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:29:40,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:29:40,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:29:40,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:29:40,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:29:40,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:29:40,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:29:40,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:40,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:40,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:29:40,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:29:40,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:29:40,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:29:40,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:40,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:40,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:40,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:40,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:29:40,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:29:40,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:40,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:40,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:40,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:40,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:29:40,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:29:40,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:29:40,937   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:29:40,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:29:40,942   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:29:40,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:40,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:40,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:29:40,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:29:40,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:29:40,957   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:29:40,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:29:40,962   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:29:40,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:40,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:40,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:29:40,972   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:29:40,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:40,977   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:40,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:40,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:40,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:29:40,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:29:40,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:29:40,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:29:40,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:29:40,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:29:41,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:29:41,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:29:41,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:41,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:41,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:41,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:41,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:41,013   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:41,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:29:41,017   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:29:41,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:29:41,021   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:29:41,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:29:41,025   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:29:41,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:29:41,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:29:41,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:29:41,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:29:41,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:29:41,037   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:29:41,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:29:41,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:29:41,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:41,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:41,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:41,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:41,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:29:41,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:29:41,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:29:41,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:29:41,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:29:41,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:29:41,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:29:41,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:29:41,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:29:41,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:29:41,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:41,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:41,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:29:41,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:29:41,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:41,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:41,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:29:41,084   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:29:41,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:29:41,088   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:29:41,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:29:41,092   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:29:41,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:29:41,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:29:41,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:41,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:41,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10
2025-08-31T09:29:41,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:41,106   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:41,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:41,110   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:41,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:41,114   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:41,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:41,118   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:41,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:29:41,122   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:29:41,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:41,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:41,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:41,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:41,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:41,133   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:41,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:41,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:41,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:41,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:41,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:41,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:41,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:41,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:41,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:41,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:41,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:41,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:41,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:41,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:41,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:41,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:41,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:41,169   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:41,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:41,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:41,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:41,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:41,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:41,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:41,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05
2025-08-31T09:29:41,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:41,190   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:41,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:41,194   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:41,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:29:41,199   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:29:41,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:29:41,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:29:41,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:29:41,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:29:41,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:41,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:41,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:29:41,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:29:41,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:41,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:41,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:29:41,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:29:41,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:41,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:41,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:29:41,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:29:41,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:29:41,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:29:41,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:29:41,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:29:41,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:41,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:41,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:41,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:41,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:29:41,251   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:29:41,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:41,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:41,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:29:41,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:29:41,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:29:41,263   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:29:41,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:29:41,266   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:29:41,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:29:41,271   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:29:41,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:41,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:41,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:41,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:41,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:29:41,283   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:29:41,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:41,287   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:41,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:29:41,291   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:29:41,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:29:41,295   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:29:41,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:41,299   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:41,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:29:41,303   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:29:41,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:41,307   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:41,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:41,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:41,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:41,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:41,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:29:41,319   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:29:41,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:29:41,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:29:41,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:41,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:41,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:41,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:41,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:41,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:41,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:29:41,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:29:41,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:41,344   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:41,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:41,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:41,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:29:41,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:29:41,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:41,355   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:41,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:29:41,359   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:29:41,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:41,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:41,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:41,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:41,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:29:41,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:29:41,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:41,376   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:41,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:41,380   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:41,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:29:41,384   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:29:41,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:29:41,388   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:29:41,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:41,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:41,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:29:41,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:29:41,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:29:41,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:29:41,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:29:41,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:29:41,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:41,411   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:41,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:41,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:41,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:29:41,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:29:41,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:41,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:41,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:41,427   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:41,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:41,431   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:41,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:41,435   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:41,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:41,439   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:41,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:29:41,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:29:41,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:41,448   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:41,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:41,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:41,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:41,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:41,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:29:41,460   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:29:41,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:29:41,464   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:29:41,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:41,468   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:41,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:41,472   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:41,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:41,476   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:41,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:41,480   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:41,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:29:41,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:29:41,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:29:41,489   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:29:41,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:41,493   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:41,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:41,497   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:41,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:29:41,501   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:29:41,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:41,505   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:41,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:41,509   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:41,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:29:41,513   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:29:41,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:41,517   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:41,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:41,521   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:41,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:41,525   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:41,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:41,529   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:41,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:29:41,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:29:41,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:29:41,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:29:41,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:29:41,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:29:41,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:41,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:41,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:41,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:41,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:41,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:41,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:29:41,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:29:41,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:29:41,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:29:41,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:29:41,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:29:41,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:29:41,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:29:41,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:29:41,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:29:41,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:41,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:41,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:41,582   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:41,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:41,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:41,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:29:41,589   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:29:41,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:41,593   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:41,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:41,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:41,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:41,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:41,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:29:41,606   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:29:41,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:41,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:41,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:41,614   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:41,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:41,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:41,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:41,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:41,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:29:41,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:29:41,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:29:41,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:29:41,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:29:41,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:29:41,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:29:41,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:29:41,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:41,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:41,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:41,646   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:41,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:41,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:41,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:41,654   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:41,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:29:41,658   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:29:41,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:29:41,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:29:41,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:41,667   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:41,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:41,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:41,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:29:41,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:29:41,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:41,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:41,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:29:41,688   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:29:41,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:41,693   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:41,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:41,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:41,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:29:41,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:29:41,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:29:41,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:29:41,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:41,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:41,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:41,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:41,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:41,719   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:41,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:41,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:41,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:41,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:41,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:41,734   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:41,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:41,739   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:41,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:41,745   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:41,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:29:41,749   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:29:41,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:41,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:41,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:41,759   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:41,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:41,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:41,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:41,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:41,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:41,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:41,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:41,778   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:41,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:29:41,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:29:41,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:29:41,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:29:41,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:29:41,792   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:29:41,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:41,796   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:41,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:41,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:41,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:29:41,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:29:41,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:29:41,811   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:29:41,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:41,816   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:41,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:41,820   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:41,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:29:41,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:29:41,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:41,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:41,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:41,835   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:41,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:29:41,840   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:29:41,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:29:41,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:29:41,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:29:41,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:29:41,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:29:41,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:29:41,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:41,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:41,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:29:41,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:29:41,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:29:41,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:29:41,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:41,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:41,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:41,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:41,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:41,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:41,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:29:41,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:29:41,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:41,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:41,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:41,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:41,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:29:41,893   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:29:41,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:29:41,897   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:29:41,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:29:41,901   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:29:41,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:29:41,905   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:29:41,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59
2025-08-31T09:29:41,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:41,913   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:41,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:41,917   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:41,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:41,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:41,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:41,925   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:41,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:41,929   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:41,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:41,933   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:41,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:41,937   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:41,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:41,941   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:41,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:41,946   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:41,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:29:41,950   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:29:41,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:29:41,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:29:41,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:41,958   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:41,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:41,961   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:41,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:41,965   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:41,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:41,969   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:41,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:41,973   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:41,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:41,977   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:41,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:41,981   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:41,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:41,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:41,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:41,989   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:41,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:41,994   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:41,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:41,998   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:42,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:42,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:42,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:42,006   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:42,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:42,010   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:42,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:42,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:42,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:42,019   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:42,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:42,023   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:42,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:42,027   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:42,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:29:42,031   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:29:42,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:42,035   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:42,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:42,039   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:42,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:42,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:42,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:29:42,048   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:29:42,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:42,052   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:42,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:42,055   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:42,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:42,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:42,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:42,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:42,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:42,068   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:42,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:42,072   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:42,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:42,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:42,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:42,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:42,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:42,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:42,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:42,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:42,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:42,091   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:42,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:42,095   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:42,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:42,099   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:42,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:42,102   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:42,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:42,106   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:42,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:29:42,110   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:29:42,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:42,115   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:42,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:42,119   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:42,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:29:42,123   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:29:42,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:42,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:42,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:42,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:42,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:42,135   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:42,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:42,139   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:42,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:42,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:42,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:42,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:42,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:42,152   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:42,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:42,156   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:42,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:42,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:42,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:42,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:42,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:42,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:42,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:42,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:42,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:42,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:42,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:42,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:42,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:42,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:42,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:42,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:42,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:42,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:42,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:42,197   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:42,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:42,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:42,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:42,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:42,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:29:42,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:29:42,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:42,213   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:42,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:42,217   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:42,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:42,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:42,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:29:42,226   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:29:42,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:42,230   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:42,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:42,234   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:42,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:42,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:42,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:42,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:42,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:42,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:42,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:42,251   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:42,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:42,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:42,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:42,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:42,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:42,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:42,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:42,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:42,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:29:42,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:29:42,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:42,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:42,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:42,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:42,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:42,285   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:42,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:29:42,289   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:29:42,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:42,293   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:42,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:42,297   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:42,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:42,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:42,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:42,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:42,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:29:42,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:29:42,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:42,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:42,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:42,316   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:42,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:42,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:42,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:42,324   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:42,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:42,328   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:42,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:42,332   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:42,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:29:42,336   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:29:42,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF
2025-08-31T09:29:42,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:42,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:42,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:42,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:42,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:42,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:42,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:42,355   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:42,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:42,359   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:42,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:42,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:42,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:42,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:42,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:42,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:42,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:42,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:42,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:42,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:42,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:42,383   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:42,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:29:42,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:29:42,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:42,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:42,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:42,395   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:42,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:42,399   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:42,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:42,403   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:42,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:42,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:42,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:29:42,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:29:42,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC
2025-08-31T09:29:42,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:42,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:42,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:29:42,422   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:29:42,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:29:42,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:29:42,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:42,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:42,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:42,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:42,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:42,439   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:42,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:42,443   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:42,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:42,447   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:42,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:29:42,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:29:42,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:42,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:42,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:42,460   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:42,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:42,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:42,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:42,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:42,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:42,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:42,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:42,477   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:42,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:42,481   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:42,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:42,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:42,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:42,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:42,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:42,494   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:42,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:42,498   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:42,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:42,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:42,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:42,506   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:42,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:42,510   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:42,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:29:42,514   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:29:42,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:42,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:42,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:42,522   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:42,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:29:42,526   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:29:42,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:42,530   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:42,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:42,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:42,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:42,538   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:42,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:42,542   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:42,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:42,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:42,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:42,550   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:42,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:42,554   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:42,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:29:42,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:29:42,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:42,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:42,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:42,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:42,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:42,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:42,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:42,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:42,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:42,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:42,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:29:42,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:29:42,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:42,585   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:42,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:42,589   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:42,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:29:42,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:29:42,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:42,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:42,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:42,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:42,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:42,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:42,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:42,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:42,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:29:42,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:29:42,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:29:42,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:29:42,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:42,620   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:42,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:42,624   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:42,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:42,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:42,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:42,632   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:42,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:42,635   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:42,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:42,640   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:42,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:42,644   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:42,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:42,648   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:42,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:42,652   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:42,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:42,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:42,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:42,661   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:42,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:42,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:42,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:42,669   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:42,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:42,673   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:42,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:42,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:42,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:42,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:42,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:42,685   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:42,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:42,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:42,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:42,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:42,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:29:42,698   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:29:42,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:29:42,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:29:42,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:42,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:42,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:42,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:42,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:42,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:42,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:42,718   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:42,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:42,722   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:42,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:42,726   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:42,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:42,730   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:42,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:42,734   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:42,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:42,738   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:42,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:29:42,742   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:29:42,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:42,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:42,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:29:42,751   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:29:42,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:29:42,755   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:29:42,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:42,759   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:42,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:42,763   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:42,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC
2025-08-31T09:29:42,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:42,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:42,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:29:42,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:29:42,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:29:42,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:29:42,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:42,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:42,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:29:42,784   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:29:42,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:42,788   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:42,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:42,792   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:42,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:42,796   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:42,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:42,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:42,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:42,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:42,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:29:42,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:29:42,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:42,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:42,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:42,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:42,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:42,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:42,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:42,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:42,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:42,829   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:42,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:42,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:42,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:42,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:42,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:42,840   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:42,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:42,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:42,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:42,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:42,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6
2025-08-31T09:29:42,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:42,855   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:42,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:42,859   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:42,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:42,863   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:42,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:42,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:42,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:42,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:42,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:42,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:42,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:42,880   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:42,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:42,884   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:42,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:42,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:42,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:42,893   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:42,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:42,897   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:42,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:42,901   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:42,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP
2025-08-31T09:29:42,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:29:42,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:29:42,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:29:42,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:29:42,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:29:42,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:29:42,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:29:42,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:29:42,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:29:42,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:29:42,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:42,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:42,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:42,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:42,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:29:42,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:29:42,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:42,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:42,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:29:42,945   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:29:42,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:42,949   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:42,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:29:42,953   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:29:42,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:29:42,957   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:29:42,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL
2025-08-31T09:29:42,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:42,965   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:42,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:42,970   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:42,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:42,974   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:42,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:42,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:42,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:42,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:42,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:42,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:42,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:42,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:42,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:42,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:42,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:42,999   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:43,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:43,003   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:43,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:43,007   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:43,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:43,011   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:43,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:43,015   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:43,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:43,019   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:43,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:43,023   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:43,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:43,027   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:43,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:43,031   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:43,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:43,035   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:43,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:43,039   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:43,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:43,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:43,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:43,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:43,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:43,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:43,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:43,055   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:43,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:43,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:43,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:43,063   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:43,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:43,067   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:43,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:43,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:43,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:43,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:43,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:43,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:43,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:43,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:43,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:43,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:43,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:43,091   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:43,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:43,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:43,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:43,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:43,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:43,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:43,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:43,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:43,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:43,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:43,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:43,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:43,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:43,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:43,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:43,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:43,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:43,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:43,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:43,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:43,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:43,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:43,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:43,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:43,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:43,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:43,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:43,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:43,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:43,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:43,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:43,156   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:43,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:43,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:43,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:43,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:43,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:43,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:43,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:43,171   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:43,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:43,175   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:43,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:43,179   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:43,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:43,183   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:43,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:43,187   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:43,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:43,191   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:43,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:43,195   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:43,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:43,199   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:43,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:43,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:43,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:43,207   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:43,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:43,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:43,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:43,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:43,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:43,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:43,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:43,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:43,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10
2025-08-31T09:29:43,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:43,229   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:43,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:43,233   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:43,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:43,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:43,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:43,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:43,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:43,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:43,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:43,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:43,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:43,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:43,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:43,257   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:43,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:43,261   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:43,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:43,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:43,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:43,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:43,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:43,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:43,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:43,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:43,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:43,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:43,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:43,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:43,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:43,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:43,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:43,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:43,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:43,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:43,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:43,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:43,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:43,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:43,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4
2025-08-31T09:29:43,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:43,311   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:43,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:43,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:43,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:43,319   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:43,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:43,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:43,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:43,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:43,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:43,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:43,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:43,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:43,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:43,338   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:43,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:43,342   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:43,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:43,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:43,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:43,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:43,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:43,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:43,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:43,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:43,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:43,362   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:43,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:43,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:43,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:43,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:43,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:43,374   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:43,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:43,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:43,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:43,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:43,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:43,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:43,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:43,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:43,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:43,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:43,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:43,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:43,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:43,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:43,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:43,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:43,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:43,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:43,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:43,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:43,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:43,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:43,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:43,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:43,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:43,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:43,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:43,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:43,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:43,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:43,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:43,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:43,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:43,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:43,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:43,447   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:43,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:43,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:43,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:43,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:43,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:43,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:43,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:43,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:43,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:43,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:43,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:43,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:43,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:43,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:43,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:43,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:43,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:43,483   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:43,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:43,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:43,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:43,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:43,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:43,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:43,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:43,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:43,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:43,503   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:43,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:43,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:43,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:43,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:43,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:43,515   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:43,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:43,519   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:43,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:43,523   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:43,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:43,527   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:43,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:43,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:43,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:43,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:43,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:43,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:43,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:43,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:43,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:43,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:43,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:43,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:43,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:43,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:43,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:43,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:43,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:43,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:43,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:43,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:43,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:43,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:43,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:43,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:43,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:43,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:43,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:43,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:43,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:43,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:43,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:43,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:43,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:43,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:43,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:43,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:43,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:43,606   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:43,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:43,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:43,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:43,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:43,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:43,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:43,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:43,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:43,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:43,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:43,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:43,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:43,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:43,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:43,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:43,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:43,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:43,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:43,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:43,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:43,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:43,649   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:43,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:43,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:43,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:43,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:43,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:43,661   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:43,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:43,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:43,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:43,669   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:43,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:43,673   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:43,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:43,677   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:43,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:43,681   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:43,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:43,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:43,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:43,689   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:43,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:43,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:43,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:43,698   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:43,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:43,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:43,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:43,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:43,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:43,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:43,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23
2025-08-31T09:29:43,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:29:43,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:29:43,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:29:43,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:29:43,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:29:43,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:29:43,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:29:43,728   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:29:43,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:29:43,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:29:43,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:29:43,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:29:43,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:29:43,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:29:43,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:29:43,745   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:29:43,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:29:43,749   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:29:43,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:29:43,753   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:29:43,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:29:43,757   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:29:43,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:29:43,761   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:29:43,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:29:43,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:29:43,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:29:43,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:29:43,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:29:43,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:29:43,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:29:43,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:29:43,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:29:43,782   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:29:43,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:29:43,786   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:29:43,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:29:43,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:29:43,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:29:43,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:29:43,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:29:43,799   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:29:43,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:29:43,803   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:29:43,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:29:43,807   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:29:43,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:29:43,811   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:29:43,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF
2025-08-31T09:29:43,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:29:43,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:29:43,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:29:43,823   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:29:43,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:29:43,827   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:29:43,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:29:43,831   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:29:43,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:29:43,835   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:29:43,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:29:43,839   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:29:43,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:29:43,843   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:29:43,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:29:43,847   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:29:43,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:29:43,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:29:43,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:29:43,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:29:43,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:29:43,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:29:43,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:29:43,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:29:43,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:29:43,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:29:43,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:29:43,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:29:43,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:29:43,877   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:29:43,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:29:43,881   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:29:43,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:29:43,886   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:29:43,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:29:43,890   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:29:43,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:29:43,894   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:29:43,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:29:43,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:29:43,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:29:43,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:29:43,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:29:43,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:29:43,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:29:43,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:29:43,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:29:43,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:29:43,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:29:43,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:29:43,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:29:43,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:29:43,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:29:43,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:29:43,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:29:43,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:29:43,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:29:43,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:29:43,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:29:43,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:29:43,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:29:43,944   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:29:43,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:29:43,948   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:29:43,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:29:43,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:29:43,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:29:43,956   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:29:43,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:29:43,960   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:29:43,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:29:43,964   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:29:43,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:29:43,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:29:43,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:29:43,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:29:43,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:29:43,975   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:29:43,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:29:43,979   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:29:43,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:29:43,983   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:29:43,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:29:43,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:29:43,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:29:43,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:29:43,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:29:43,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:29:43,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:29:43,999   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:29:44,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:29:44,003   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:29:44,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:29:44,007   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:29:44,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:29:44,011   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:29:44,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:29:44,015   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:29:44,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:29:44,019   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:29:44,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:29:44,023   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:29:44,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:29:44,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:29:44,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21
2025-08-31T09:29:44,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:44,034   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:44,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:44,038   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:44,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:29:44,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:29:44,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:29:44,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:29:44,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:44,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:44,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:44,055   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:44,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:29:44,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:29:44,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:29:44,063   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:29:44,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:29:44,067   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:29:44,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:29:44,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:29:44,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:29:44,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:29:44,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:44,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:44,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:44,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:44,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:44,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:44,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:29:44,091   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:29:44,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:44,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:44,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:29:44,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:29:44,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:44,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:44,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:29:44,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:29:44,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:44,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:44,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:29:44,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:29:44,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA
2025-08-31T09:29:44,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:44,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:44,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:44,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:44,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:44,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:44,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:44,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:44,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:44,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:44,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:44,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:44,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:44,148   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:44,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:44,152   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:44,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:44,156   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:44,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:44,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:44,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:44,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:44,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:44,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:44,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:44,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:44,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:44,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:44,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:44,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:44,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:44,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:44,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:44,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:44,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:44,194   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:44,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:44,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:44,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:44,204   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:44,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:44,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:44,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:44,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:44,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:44,222   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:44,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:44,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:44,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:44,234   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:44,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:44,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:44,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:44,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:44,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:44,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:44,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:44,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:44,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:44,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:44,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:44,281   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:44,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:44,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:44,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:44,291   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:44,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:44,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:44,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:44,301   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:44,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:44,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:44,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:44,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:44,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:44,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:44,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:44,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:44,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:44,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:44,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:44,325   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:44,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:44,329   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:44,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:44,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:44,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:44,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:44,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:44,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:44,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:44,344   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:44,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:44,348   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:44,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:44,352   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:44,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:44,356   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:44,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:44,360   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:44,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24
2025-08-31T09:29:44,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:44,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:44,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:44,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:44,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:44,374   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:44,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:44,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:44,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:44,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:44,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:44,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:44,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:44,391   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:44,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:44,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:44,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:44,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:44,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:44,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:44,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:44,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:44,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:44,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:44,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:44,414   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:44,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:44,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:44,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:44,422   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:44,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:44,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:44,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:44,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:44,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:44,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:44,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:44,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:44,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:44,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:44,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:44,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:44,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:44,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:44,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:44,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:44,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:44,458   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:44,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:44,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:44,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:44,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:44,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:44,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:44,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:44,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:44,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:44,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:44,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:44,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:44,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:44,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:44,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:44,491   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:44,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:44,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:44,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:44,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:44,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:44,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:44,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:44,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:44,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:44,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:44,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:44,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:44,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:44,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:44,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:44,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:44,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:44,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:44,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:44,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:44,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:44,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:44,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:44,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:44,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:44,546   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:44,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:44,550   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:44,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:44,554   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:44,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:44,558   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:44,563   copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm
2025-08-31T09:29:44,566   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset
2025-08-31T09:29:44,569   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries
2025-08-31T09:29:44,573   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:44,779   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:44,989   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:44,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:44,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:44,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:44,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:44,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:45,059   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:45,155   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:45,225   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:45,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:46,822   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:46,857   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:46,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:47,115   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:29:47,134   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:47,266   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:47,376   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:47,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:47,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:47,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:47,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:47,388   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:47,459   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:47,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:48,128   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:48,206   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,246   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,302   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:48,392   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:29:48,710   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:48,793   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:48,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:49,214   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:49,291   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:49,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:50,308   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:29:50,813   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:50,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:51,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:51,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:51,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:51,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:51,011   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:51,058   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:51,245   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:29:51,340   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:51,368   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:51,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:52,276   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:52,430   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:52,742   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:29:52,836   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:52,877   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:29:52,933   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:52,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:53,073   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:53,162   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:29:53,247   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:53,343   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:53,533   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,653   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:53,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:54,247   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:54,315   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:54,400   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:54,466   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:54,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:55,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:56,147   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:56,167   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:56,246   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:56,370   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:56,455   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:56,611   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:56,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:57,491   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:57,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:58,678   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:58,743   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:58,779   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:58,923   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:58,963   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:58,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:59,002   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:59,048   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,143   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:29:59,474   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:59,520   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:29:59,622   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
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2025-08-31T09:29:59,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:59,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:30:00,066   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:30:00,180   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:30:00,210   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6
2025-08-31T09:30:00,212   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:30:00,233   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:30:00,296   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:30:00,552   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,566   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:00,602   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:00,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:30:01,232   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:30:01,384   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:30:01,499   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:01,594   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,702   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:30:01,727   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:30:01,749   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:01,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:02,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:02,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:30:02,007   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:30:02,026   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:30:02,041   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,042   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,045   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,047   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,049   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,051   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,053   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,056   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,058   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,060   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,064   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,066   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,069   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,071   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,074   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,076   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,078   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,081   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,084   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,086   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,088   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,091   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,094   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,096   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,098   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,100   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,102   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,105   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,107   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,111   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,114   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,116   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,118   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,120   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,123   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,125   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,129   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,131   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,135   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,140   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,145   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,149   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,151   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,153   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,155   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,158   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,160   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,162   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,167   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,169   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,171   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,174   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,175   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,178   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,180   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,183   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,185   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,188   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,190   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,192   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,194   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,197   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,199   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,202   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,204   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,206   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,208   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,210   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,213   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,215   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,217   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,220   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,222   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,224   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,226   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,228   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,230   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,232   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,234   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:30:02,238   copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset
2025-08-31T09:30:02,253   creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts
2025-08-31T09:30:02,255   copying build/lib/xcbm/Input_Scripts/calc_MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts
2025-08-31T09:30:02,257   copying build/lib/xcbm/Input_Scripts/calc_GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts
2025-08-31T09:30:02,264   running install_egg_info
2025-08-31T09:30:02,277   Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.4-py3.11.egg-info
2025-08-31T09:30:02,307   running install_scripts
2025-08-31T09:30:02,318   creating build/bdist.linux-armv7l/wheel/xcbm-0.1.4.dist-info/WHEEL
2025-08-31T09:30:02,322   creating '/tmp/pip-wheel-amtvfxi5/.tmp-0l3hnbnr/xcbm-0.1.4-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it
2025-08-31T09:30:02,325   adding 'xcbm/GMTKN55.py'
2025-08-31T09:30:02,328   adding 'xcbm/MGCDB84.py'
2025-08-31T09:30:02,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:02,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:02,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:02,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:02,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:02,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:02,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:02,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:02,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:02,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:02,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:02,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:02,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:02,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:02,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:02,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:02,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:02,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:02,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:02,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:02,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:02,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:02,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:02,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:02,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:02,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:02,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:02,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:02,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:02,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:02,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:02,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:02,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:02,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:02,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:02,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:02,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:02,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:02,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:02,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:02,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:02,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:02,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:02,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:02,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:02,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:02,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:02,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:02,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:02,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:02,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:02,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:02,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:02,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:02,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:02,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:02,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:02,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:02,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:02,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:02,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:02,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:02,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:02,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:02,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:02,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:02,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:02,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:02,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:02,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:02,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:02,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:02,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:02,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:02,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:02,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:02,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:02,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:02,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:02,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:02,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:02,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:02,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:02,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:02,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:02,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:02,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:02,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:02,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:02,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:02,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:02,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:02,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:02,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:02,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:02,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:02,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:02,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:02,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:02,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:02,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:02,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:02,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:02,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:02,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:02,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:02,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:02,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:02,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:02,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:02,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:02,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:02,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:02,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:02,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:02,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:02,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:02,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:02,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:02,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:02,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:02,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:02,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:02,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:02,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:02,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:02,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:02,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:02,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:02,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:02,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:02,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:02,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:02,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:02,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:02,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:02,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:02,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:02,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:02,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:02,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:02,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:02,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:02,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:02,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:02,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:02,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:02,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:02,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:02,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:02,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:02,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:02,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:02,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:02,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:02,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:02,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:02,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:02,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:02,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:02,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:02,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:02,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:02,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:02,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:02,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:02,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:02,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:02,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:02,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:02,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:02,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:02,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:02,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:02,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:02,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:02,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:02,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:02,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:02,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:02,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:02,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:02,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:02,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:02,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:02,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:02,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:02,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:02,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:02,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:02,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:02,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:02,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:02,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:02,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:02,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:02,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:02,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:02,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:02,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:02,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:02,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:02,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:02,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:02,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:02,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:02,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:02,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:02,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:02,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:02,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:02,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:02,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:02,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:02,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:02,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:02,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:02,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:02,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:02,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:02,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:02,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:02,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:02,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:02,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:02,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:02,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:02,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:02,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:02,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:02,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:02,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:02,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:02,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:02,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:02,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:02,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:02,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:02,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:02,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:02,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:02,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:02,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:02,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:02,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:02,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:02,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:02,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:02,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:02,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:02,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:02,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:02,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:02,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:02,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:02,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:02,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:02,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:02,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:02,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:02,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:02,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:02,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:02,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:02,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:02,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:02,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:02,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:02,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:02,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:02,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:02,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:02,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:02,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:02,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:02,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:02,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:02,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:02,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:02,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:02,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:02,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:02,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:02,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:02,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:02,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:02,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:02,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:02,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:02,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:02,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:02,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:02,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:02,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:02,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:02,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:02,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:02,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:02,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:02,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:02,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:02,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:02,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:02,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:02,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:02,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:02,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:02,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:02,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:02,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:02,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:02,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:02,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:02,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:02,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:02,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:02,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:02,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:02,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:02,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:02,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:02,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:02,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:02,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:02,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:02,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:02,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:02,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:02,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:02,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:02,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:02,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:02,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:02,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:02,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:02,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:02,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:02,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:02,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:02,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:02,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:02,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:02,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:02,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:02,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:02,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:02,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:02,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:02,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:02,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:03,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:03,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:03,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:03,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:03,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:03,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:03,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:03,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:03,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:03,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:03,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:03,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:03,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:03,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:03,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:03,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:03,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:03,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:03,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:03,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:03,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:03,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:03,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:03,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:03,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:03,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:03,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:03,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:03,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:03,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:03,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:03,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:03,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:03,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:03,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:03,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:03,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:03,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:03,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:03,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:03,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:03,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:03,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:03,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:03,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:03,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:03,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:03,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:03,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:03,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:03,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:03,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:03,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:03,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:03,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:03,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:03,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:03,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:03,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:03,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:03,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:03,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:03,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:03,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:03,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:03,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:03,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:03,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:03,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:03,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:03,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:03,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:03,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:03,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:03,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:03,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:03,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:03,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:03,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:03,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:03,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:03,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:03,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:03,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:03,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:03,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:03,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:03,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:03,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:03,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:03,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:03,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:03,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:03,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:03,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:03,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:03,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:03,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:03,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:03,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:03,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:03,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:03,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:03,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:03,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:03,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:03,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:03,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:03,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:03,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:03,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:03,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:03,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:03,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:03,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:03,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:03,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:03,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:03,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:03,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:03,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:03,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:03,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:03,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:03,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:03,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:03,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:03,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:03,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:03,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:03,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:03,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:03,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:03,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:03,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:03,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:03,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:03,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:03,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:03,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:03,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:03,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:03,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:03,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:03,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:03,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:03,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:03,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:03,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:03,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:03,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:03,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:03,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:03,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:03,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:03,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:03,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:03,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:03,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:03,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:03,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:03,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:03,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:03,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:03,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:03,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:03,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:03,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:03,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:03,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:03,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:03,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:03,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:03,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:03,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:03,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:03,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:03,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:03,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:03,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:03,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:03,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:03,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:03,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:03,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:03,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:03,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:03,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:03,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:03,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:03,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:03,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:03,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:03,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:03,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:03,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:03,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:03,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:03,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:03,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:03,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:03,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:03,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:03,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:03,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:03,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:03,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:03,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:03,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:03,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:03,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:03,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:03,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:03,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:03,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:03,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:03,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:03,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:03,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:03,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:03,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:03,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:03,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:03,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:03,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:03,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:03,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:03,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:03,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:03,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:03,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:03,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:03,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:03,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:03,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:03,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:03,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:03,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:03,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:03,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:03,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:03,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:03,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:03,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:03,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:03,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:03,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:03,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:03,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:03,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:03,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:03,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:03,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:03,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:03,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:03,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:03,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:03,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:03,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:03,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:03,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:03,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:03,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:03,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:03,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:03,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:03,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:03,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:03,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:03,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:03,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:03,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:03,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:03,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:03,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:03,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:03,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:03,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:03,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:03,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:03,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:03,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:03,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:03,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:03,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:03,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:03,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:03,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:03,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:03,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:03,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:03,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:03,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:03,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:03,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:03,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:03,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:03,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:03,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:03,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:03,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:03,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:03,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:03,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:03,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:03,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:03,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:03,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:03,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:03,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:03,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:03,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:03,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:03,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:03,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:03,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:03,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:03,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:03,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:03,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:03,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:03,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:03,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:03,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:03,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:03,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:03,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:03,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:03,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:03,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:03,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:03,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:03,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:03,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:03,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:03,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:03,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:03,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:03,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:03,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:03,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:03,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:03,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:03,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:03,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:03,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:03,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:03,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:03,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:03,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:03,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:03,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:03,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:03,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:03,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:03,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:03,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:03,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:03,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:03,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:03,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:03,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:03,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:03,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:03,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:03,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:03,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:03,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:03,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:03,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:03,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:03,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:03,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:03,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:03,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:03,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:03,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:03,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:03,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:03,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:03,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:03,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:03,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:03,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:03,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:03,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:03,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:03,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:03,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:03,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:03,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:03,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:03,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:03,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:03,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:03,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:03,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:03,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:03,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:03,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:03,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:03,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:03,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:03,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:03,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:03,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:03,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:03,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:03,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:03,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:03,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:03,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:03,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:03,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:03,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:03,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:03,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:03,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:03,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:03,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:03,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:03,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:03,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:03,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:03,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:03,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:03,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:03,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:03,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:03,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:03,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:03,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:03,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:03,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:03,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:03,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:03,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:03,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:03,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:03,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:03,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:03,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:03,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:03,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:03,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:03,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:03,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:03,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:03,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:03,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:03,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:03,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:03,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:03,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:03,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:03,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:03,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:03,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:03,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:03,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:03,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:03,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:03,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:03,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:03,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:03,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:03,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:03,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:03,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:03,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:03,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:03,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:03,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:03,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:03,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:03,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:03,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:03,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:03,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:03,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:03,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:03,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:03,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:03,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:03,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:03,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:03,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:03,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:03,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:03,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:03,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:03,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:03,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:03,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:03,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:03,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:03,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:03,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:03,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:03,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:03,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:03,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:03,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:03,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:03,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:03,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:03,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:03,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:03,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:03,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:03,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:03,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:03,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:03,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:03,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:03,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:03,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:03,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:03,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:03,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:03,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:03,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:03,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:03,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:03,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:03,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:03,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:03,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:03,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:03,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:03,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:03,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:03,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:04,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:04,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:04,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:04,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:04,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:04,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:04,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:04,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:04,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:04,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:04,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:04,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:04,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:04,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:04,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:04,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:04,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:04,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:04,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:04,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:04,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:04,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:04,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:04,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:04,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:04,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:04,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:04,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:04,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:04,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:04,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:04,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:04,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:04,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:04,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:04,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:04,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:04,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:04,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:04,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:04,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:04,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:04,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:04,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:04,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:04,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:04,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:04,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:04,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:04,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:04,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:04,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:04,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:04,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:04,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:04,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:04,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:04,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:04,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:04,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:04,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:04,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:04,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:04,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:04,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:04,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:04,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:04,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:04,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:04,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:04,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:04,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:04,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:04,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:04,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:04,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:04,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:04,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:04,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:04,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:04,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:04,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:04,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:04,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:04,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:04,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:04,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:04,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:04,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:04,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:04,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:04,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:04,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:04,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:04,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:04,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:04,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:04,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:04,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:04,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:04,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:04,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:04,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:04,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:04,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:04,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:04,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:04,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:04,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:04,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:04,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:04,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:04,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:04,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:04,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:04,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:04,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:04,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:04,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:04,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:04,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:04,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:04,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:04,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:04,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:04,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:04,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:04,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:04,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:04,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:04,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:04,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:04,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:04,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:04,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:04,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:04,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:04,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:04,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:04,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:04,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:04,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:04,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:04,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:04,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:04,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:04,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:04,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:04,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:04,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:04,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:04,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:04,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:04,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:04,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:04,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:04,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:04,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:04,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:04,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:04,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:04,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:04,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:04,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:04,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:04,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:04,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:04,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:04,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:04,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:04,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:04,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:04,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:04,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:04,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:04,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:04,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:04,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:04,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:04,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:04,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:04,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:04,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:04,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:04,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:04,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:04,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:04,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:04,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:04,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:04,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:04,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:04,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:04,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:04,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:04,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:04,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:04,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:04,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:04,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:04,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:04,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:04,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:04,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:04,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:04,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:04,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:04,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:04,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:04,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:04,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:04,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:04,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:04,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:04,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:04,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:04,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:04,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:04,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:04,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:04,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:04,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:04,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:04,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:04,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:04,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:04,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:04,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:04,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:04,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:04,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:04,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:04,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:04,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:04,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:04,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:04,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:04,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:04,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:04,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:04,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:04,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:04,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:04,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:04,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:04,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:04,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:04,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:04,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:04,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:04,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:04,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:04,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:04,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:04,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:04,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:04,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:04,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:04,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:04,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:04,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:04,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:04,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:04,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:04,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:04,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:04,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:04,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:04,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:04,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:04,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:04,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:04,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:04,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:04,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:04,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:04,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:04,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:04,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:04,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:04,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:04,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:04,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:04,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:04,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:04,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:04,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:04,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:04,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:04,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:04,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:04,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:04,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:04,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:04,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:04,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:04,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:04,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:04,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:04,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:04,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:04,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:04,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:04,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:04,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:04,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:04,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:04,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:04,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:04,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:04,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:04,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:04,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:04,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:04,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:04,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:04,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:04,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:04,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:04,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:04,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:04,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:04,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:04,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:04,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:04,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:04,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:04,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:04,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:04,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:04,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:04,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:04,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:04,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:04,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:04,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:04,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:04,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:04,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:04,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:04,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:04,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:04,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:04,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:04,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:04,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:04,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:04,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:04,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:04,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:04,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:04,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:04,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:04,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:04,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:04,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:04,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:04,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:04,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:04,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:04,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:04,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:04,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:04,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:04,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:04,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:04,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:04,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:04,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:04,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:04,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:04,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:04,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:04,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:04,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:04,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:04,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:04,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:04,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:04,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:04,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:04,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:04,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:04,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:04,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:04,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:04,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:04,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:04,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:04,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:04,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:04,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:04,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:04,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:04,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:04,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:04,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:04,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:04,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:04,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:04,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:04,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:04,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:04,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:04,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:04,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:04,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:04,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:04,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:04,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:04,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:04,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:04,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:04,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:04,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:04,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:04,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:04,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:04,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:04,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:04,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:04,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:04,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:04,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:04,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:04,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:04,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:04,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:04,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:04,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:04,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:04,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:04,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:04,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:04,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:04,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:04,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:04,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:04,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:04,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:04,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:04,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:04,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:04,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:04,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:04,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:04,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:04,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:04,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:04,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:04,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:04,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:04,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:04,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:04,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:04,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:04,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:04,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:04,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:04,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:04,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:04,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:04,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:04,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:04,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:04,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:04,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:04,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:04,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:04,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:04,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:04,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:04,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:04,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:04,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:04,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:04,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:04,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:04,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:04,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:04,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:04,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:04,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:04,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:04,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:04,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:04,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:04,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:04,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:04,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:04,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:04,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:04,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:04,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:04,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:04,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:04,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:04,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:04,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:04,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:04,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:04,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:04,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:04,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:04,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:04,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:04,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:04,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:04,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:04,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:04,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:04,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:04,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:04,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:04,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:04,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:04,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:04,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:04,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:04,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:04,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:04,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:04,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:04,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:04,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:04,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:04,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:04,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:04,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:04,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:04,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:04,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:04,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:04,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:04,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:04,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:04,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:04,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:04,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:04,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:04,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:04,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:04,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:04,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:04,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:04,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:04,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:05,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:05,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:05,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:05,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:05,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:05,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:05,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:05,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:05,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:05,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:05,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:05,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:05,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:05,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:05,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:05,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:05,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:05,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:05,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:05,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:05,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:05,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:05,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:05,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:05,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:05,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:05,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:05,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:05,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:05,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:05,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:05,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:05,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:05,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:05,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:05,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:05,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:05,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:05,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:05,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:05,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:05,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:05,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:05,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:05,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:05,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:05,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:05,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:05,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:05,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:05,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:05,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:05,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:05,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:05,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:05,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:05,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:05,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:05,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:05,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:05,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:05,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:05,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:05,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:05,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:05,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:05,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:05,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:05,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:05,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:05,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:05,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:05,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:05,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:05,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:05,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:05,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:05,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:05,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:05,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:05,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:05,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:05,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:05,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:05,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:05,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:05,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:05,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:05,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:05,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:05,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:05,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:05,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:05,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:05,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:05,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:05,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:05,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:05,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:05,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:05,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:05,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:05,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:05,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:05,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:05,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:05,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:05,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:05,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:05,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:05,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:05,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:05,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:05,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:05,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:05,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:05,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:05,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:05,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:05,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:05,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:05,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:05,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:05,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:05,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:05,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:05,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:05,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:05,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:05,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:05,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:05,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:05,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:05,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:05,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:05,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:05,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:05,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:05,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:05,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:05,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:05,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:05,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:05,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:05,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:05,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:05,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:05,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:05,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:05,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:05,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:05,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:05,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:05,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:05,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:05,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:05,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:05,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:05,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:05,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:05,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:05,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:05,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:05,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:05,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:05,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:05,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:05,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:05,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:05,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:05,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:05,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:05,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:05,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:05,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:05,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:05,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:05,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:05,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:05,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:05,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:05,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:05,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:05,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:05,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:05,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:05,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:05,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:05,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:05,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:05,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:05,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:05,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:05,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:05,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:05,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:05,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:05,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:05,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:05,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:05,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:05,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:05,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:05,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:05,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:05,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:05,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:05,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:05,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:05,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:05,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:05,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:05,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:05,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:05,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:05,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:05,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:05,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:05,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:05,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:05,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:05,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:05,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:05,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:05,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:05,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:05,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:05,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:05,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:05,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:05,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:05,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:05,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:05,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:05,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:05,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:05,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:05,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:05,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:05,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:05,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:05,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:05,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:05,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:05,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:05,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:05,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:05,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:05,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:05,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:05,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:05,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:05,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:05,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:05,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:05,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:05,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:05,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:05,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:05,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:05,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:05,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:05,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:05,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:05,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:05,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:05,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:05,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:05,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:05,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:05,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:05,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:05,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:05,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:05,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:05,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:05,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:05,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:05,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:05,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:05,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:05,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:05,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:05,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:05,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:05,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:05,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:05,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:05,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:05,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:05,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:05,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:05,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:05,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:05,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:05,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:05,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:05,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:05,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:05,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:05,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:05,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:05,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:05,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:05,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:05,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:05,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:05,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:05,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:05,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:05,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:05,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:05,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:05,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:05,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:05,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:05,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:05,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:05,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:05,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:05,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:05,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:05,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:05,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:05,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:05,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:05,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:05,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:05,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:05,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:05,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:05,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:05,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:05,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:05,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:05,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:05,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:05,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:05,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:05,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:05,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:05,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:05,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:05,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:05,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:05,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:05,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:05,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:05,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:05,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:05,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:05,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:05,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:05,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:05,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:05,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:05,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:05,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:05,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:05,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:05,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:05,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:05,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:05,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:05,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:05,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:05,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:05,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:05,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:05,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:05,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:05,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:05,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:05,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:05,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:05,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:05,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:05,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:05,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:05,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:05,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:05,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:05,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:05,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:05,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:05,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:05,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:05,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:05,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:05,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:05,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:05,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:05,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:05,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:05,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:05,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:05,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:05,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:05,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:05,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:05,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:05,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:05,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:05,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:05,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:05,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:05,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:05,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:05,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:05,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:05,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:05,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:05,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:05,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:05,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:05,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:05,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:05,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:05,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:05,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:05,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:05,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:05,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:05,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:05,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:05,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:05,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:05,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:05,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:05,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:05,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:05,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:05,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:05,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:05,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:05,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:05,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:05,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:05,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:05,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:05,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:05,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:05,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:05,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:05,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:05,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:05,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:05,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:05,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:05,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:05,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:05,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:05,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:05,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:05,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:05,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:05,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:05,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:05,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:05,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:05,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:05,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:05,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:05,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:05,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:05,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:05,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:05,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:05,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:05,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:05,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:05,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:05,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:05,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:05,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:05,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:05,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:05,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:05,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:05,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:05,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:05,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:05,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:05,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:05,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:05,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:05,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:05,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:05,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:05,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:05,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:05,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:05,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:05,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:05,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:05,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:05,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:05,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:05,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:05,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:05,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:05,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:05,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:05,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:05,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:05,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:05,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:05,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:05,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:05,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:05,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:05,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:05,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:05,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:05,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:05,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:05,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:05,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:05,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:05,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:05,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:05,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:05,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:05,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:05,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:05,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:05,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:05,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:05,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:05,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:05,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:05,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:06,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:06,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:06,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:06,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:06,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:06,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:06,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:06,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:06,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:06,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:06,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:06,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:06,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:06,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:06,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:06,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:06,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:06,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:06,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:06,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:06,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:06,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:06,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:06,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:06,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:06,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:06,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:06,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:06,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:06,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:06,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:06,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:06,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:06,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:06,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:06,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:06,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:06,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:06,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:06,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:06,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:06,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:06,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:06,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:06,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:06,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:06,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:06,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:06,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:06,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:06,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:06,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:06,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:06,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:06,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:06,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:06,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:06,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:06,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:06,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:06,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:06,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:06,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:06,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:06,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:06,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:06,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:06,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:06,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:06,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:06,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:06,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:06,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:06,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:06,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:06,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:06,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:06,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:06,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:06,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:06,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:06,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:06,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:06,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:06,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:06,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:06,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:06,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:06,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:06,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:06,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:06,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:06,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:06,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:06,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:06,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:06,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:06,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:06,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:06,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:06,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:06,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:06,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:06,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:06,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:06,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:06,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:06,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:06,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:06,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:06,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:06,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:06,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:06,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:06,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:06,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:06,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:06,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:06,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:06,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:06,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:06,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:06,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:06,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:06,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:06,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:06,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:06,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:06,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:06,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:06,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:06,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:06,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:06,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:06,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:06,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:06,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:06,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:06,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:06,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:06,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:06,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:06,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:06,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:06,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:06,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:06,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:06,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:06,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:06,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:06,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:06,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:06,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:06,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:06,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:06,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:06,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:06,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:06,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:06,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:06,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:06,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:06,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:06,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:06,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:06,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:06,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:06,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:06,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:06,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:06,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:06,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:06,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:06,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:06,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:06,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:06,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:06,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:06,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:06,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:06,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:06,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:06,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:06,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:06,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:06,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:06,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:06,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:06,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:06,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:06,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:06,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:06,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:06,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:06,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:06,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:06,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:06,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:06,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:06,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:06,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:06,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:06,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:06,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:06,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:06,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:06,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:06,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:06,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:06,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:06,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:06,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:06,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:06,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:06,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:06,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:06,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:06,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:06,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:06,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:06,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:06,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:06,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:06,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:06,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:06,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:06,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:06,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:06,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:06,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:06,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:06,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:06,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:06,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:06,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:06,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:06,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:06,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:06,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:06,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:06,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:06,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:06,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:06,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:06,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:06,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:06,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:06,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:06,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:06,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:06,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:06,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:06,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:06,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:06,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:06,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:06,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:06,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:06,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:06,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:06,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:06,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:06,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:06,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:06,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:06,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:06,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:06,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:06,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:06,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:06,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:06,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:06,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:06,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:06,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:06,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:06,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:06,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:06,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:06,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:06,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:06,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:06,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:06,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:06,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:06,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:06,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:06,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:06,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:06,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:06,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:06,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:06,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:06,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:06,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:06,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:06,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:06,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:06,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:06,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:06,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:06,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:06,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:06,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:06,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:06,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:06,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:06,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:06,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:06,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:06,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:06,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:06,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:06,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:06,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:06,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:06,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:06,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:06,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:06,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:06,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:06,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:06,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:06,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:06,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:06,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:06,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:06,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:06,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:06,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:06,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:06,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:06,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:06,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:06,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:06,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:06,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:06,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:06,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:06,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:06,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:06,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:06,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:06,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:06,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:06,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:06,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:06,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:06,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:06,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:06,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:06,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:06,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:06,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:06,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:06,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:06,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:06,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:06,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:06,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:06,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:06,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:06,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:06,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:06,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:06,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:06,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:06,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:06,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:06,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:06,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:06,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:06,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:06,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:06,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:06,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:06,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:06,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:06,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:06,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:06,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:06,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:06,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:06,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:06,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:06,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:06,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:06,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:06,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:06,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:06,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:06,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:06,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:06,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:06,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:06,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:06,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:06,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:06,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:06,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:06,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:06,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:06,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:06,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:06,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:06,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:06,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:06,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:06,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:06,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:06,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:06,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:06,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:06,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:06,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:06,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:06,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:06,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:06,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:06,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:06,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:06,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:06,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:06,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:06,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:06,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:06,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:06,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:06,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:06,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:06,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:06,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:06,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:06,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:06,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:06,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:06,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:06,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:06,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:06,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:06,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:06,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:06,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:06,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:06,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:06,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:06,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:06,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:06,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:06,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:06,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:06,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:06,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:06,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:06,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:06,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:06,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:06,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:06,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:06,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:06,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:06,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:06,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:06,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:06,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:06,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:06,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:06,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:06,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:06,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:06,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:06,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:06,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:06,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:06,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:06,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:06,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:06,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:06,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:06,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:06,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:06,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:06,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:06,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:06,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:06,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:06,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:06,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:06,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:06,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:06,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:06,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:06,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:06,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:06,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:06,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:06,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:06,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:06,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:06,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:06,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:06,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:06,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:06,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:06,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:06,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:06,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:06,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:06,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:06,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:06,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:06,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:06,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:06,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:06,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:06,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:06,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:06,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:06,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:06,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:06,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:06,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:06,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:06,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:06,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:06,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:06,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:06,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:07,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:07,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:07,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:07,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:07,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:07,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:07,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:07,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:07,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:07,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:07,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:07,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:07,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:07,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:07,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:07,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:07,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:07,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:07,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:07,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:07,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:07,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:07,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:07,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:07,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:07,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:07,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:07,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:07,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:07,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:07,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:07,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:07,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:07,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:07,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:07,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:07,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:07,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:07,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:07,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:07,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:07,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:07,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:07,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:07,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:07,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:07,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:07,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:07,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:07,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:07,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:07,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:07,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:07,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:07,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:07,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:07,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:07,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:07,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:07,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:07,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:07,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:07,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:07,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:07,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:07,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:07,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:07,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:07,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:07,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:07,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:07,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:07,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:07,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:07,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:07,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:07,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:07,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:07,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:07,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:07,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:07,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:07,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:07,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:07,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:07,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:07,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:07,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:07,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:07,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:07,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:07,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:07,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:07,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:07,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:07,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:07,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:07,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:07,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:07,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:07,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:07,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:07,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:07,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:07,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:07,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:07,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:07,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:07,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:07,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:07,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:07,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:07,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:07,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:07,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:07,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:07,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:07,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:07,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:07,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:07,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:07,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:07,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:07,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:07,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:07,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:07,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:07,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:07,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:07,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:07,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:07,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:07,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:07,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:07,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:07,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:07,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:07,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:07,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:07,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:07,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:07,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:07,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:07,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:07,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:07,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:07,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:07,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:07,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:07,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:07,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:07,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:07,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:07,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:07,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:07,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:07,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:07,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:07,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:07,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:07,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:07,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:07,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:07,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:07,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:07,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:07,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:07,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:07,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:07,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:07,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:07,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:07,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:07,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:07,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:07,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:07,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:07,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:07,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:07,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:07,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:07,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:07,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:07,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:07,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:07,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:07,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:07,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:07,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:07,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:07,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:07,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:07,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:07,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:07,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:07,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:07,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:07,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:07,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:07,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:07,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:07,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:07,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:07,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:07,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:07,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:07,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:07,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:07,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:07,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:07,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:07,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:07,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:07,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:07,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:07,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:07,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:07,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:07,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:07,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:07,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:07,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:07,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:07,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:07,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:07,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:07,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:07,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:07,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:07,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:07,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:07,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:07,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:07,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:07,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:07,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:07,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:07,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:07,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:07,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:07,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:07,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:07,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:07,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:07,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:07,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:07,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:07,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:07,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:07,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:07,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:07,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:07,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:07,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:07,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:07,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:07,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:07,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:07,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:07,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:07,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:07,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:07,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:07,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:07,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:07,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:07,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:07,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:07,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:07,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:07,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:07,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:07,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:07,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:07,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:07,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:07,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:07,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:07,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:07,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:07,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:07,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:07,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:07,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:07,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:07,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:07,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:07,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:07,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:07,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:07,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:07,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:07,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:07,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:07,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:07,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:07,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:07,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:07,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:07,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:07,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:07,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:07,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:07,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:07,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:07,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:07,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:07,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:07,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:07,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:07,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:07,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:07,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:07,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:07,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:07,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:07,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:07,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:07,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:07,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:07,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:07,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:07,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:07,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:07,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:07,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:07,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:07,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:07,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:07,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:07,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:07,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:07,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:07,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:07,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:07,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:07,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:07,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:07,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:07,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:07,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:07,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:07,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:07,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:07,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:07,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:07,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:07,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:07,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:07,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:07,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:07,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:07,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:07,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:07,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:07,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:07,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:07,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:07,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:07,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:07,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:07,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:07,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:07,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:07,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:07,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:07,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:07,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:07,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:07,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:07,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:07,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:07,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:07,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:07,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:07,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:07,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:07,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:07,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:07,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:07,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:07,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:07,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:07,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:07,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:07,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:07,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:07,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:07,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:07,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:07,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:07,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:07,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:07,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:07,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:07,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:07,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:07,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:07,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:07,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:07,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:07,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:07,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:07,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:07,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:07,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:07,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:07,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:07,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:07,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:07,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:07,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:07,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:07,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:07,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:07,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:07,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:07,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:07,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:07,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:07,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:07,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:07,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:07,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:07,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:07,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:07,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:07,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:07,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:07,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:07,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:07,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:07,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:07,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:07,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:07,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:07,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:07,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:07,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:07,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:07,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:07,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:07,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:07,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:07,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:07,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:07,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:07,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:07,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:07,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:07,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:07,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:07,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:07,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:07,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:07,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:07,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:07,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:07,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:07,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:07,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:07,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:07,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:07,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:07,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:07,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:07,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:07,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:07,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:07,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:07,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:07,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:07,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:07,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:07,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:07,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:07,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:07,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:07,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:07,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:07,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:07,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:07,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:07,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:07,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:07,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:07,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:07,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:07,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:07,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:07,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:07,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:07,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:07,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:07,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:07,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:07,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:07,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:07,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:07,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:07,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:07,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:07,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:07,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:07,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:07,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:07,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:07,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:07,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:07,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:07,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:07,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:07,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:07,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:07,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:07,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:07,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:07,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:07,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:07,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:07,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:07,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:07,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:07,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:07,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:07,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:07,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:07,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:07,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:07,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:07,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:07,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:07,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:07,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:07,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:07,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:07,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:07,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:07,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:07,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:07,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:07,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:07,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:08,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:08,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:08,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:08,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:08,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:08,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:08,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:08,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:08,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:08,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:08,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:08,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:08,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:08,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:08,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:08,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:08,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:08,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:08,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:08,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:08,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:08,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:08,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:08,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:08,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:08,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:08,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:08,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:08,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:08,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:08,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:08,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:08,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:08,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:08,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:08,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:08,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:08,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:08,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:08,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:08,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:08,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:08,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:08,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:08,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:08,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:08,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:08,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:08,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:08,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:08,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:08,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:08,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:08,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:08,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:08,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:08,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:08,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:08,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:08,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:08,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:08,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:08,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:08,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:08,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:08,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:08,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:08,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:08,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:08,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:08,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:08,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:08,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:08,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:08,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:08,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:08,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:08,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:08,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:08,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:08,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:08,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:08,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:08,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:08,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:08,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:08,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:08,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:08,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:08,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:08,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:08,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:08,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:08,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:08,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:08,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:08,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:08,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:08,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:08,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:08,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:08,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:08,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:08,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:08,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:08,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:08,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:08,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:08,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:08,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:08,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:08,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:08,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:08,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:08,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:08,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:08,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:08,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:08,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:08,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:08,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:08,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:08,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:08,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:08,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:08,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:08,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:08,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:08,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:08,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:08,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:08,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:08,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:08,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:08,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:08,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:08,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:08,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:08,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:08,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:08,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:08,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:08,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:08,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:08,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:08,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:08,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:08,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:08,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:08,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:08,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:08,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:08,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:08,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:08,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:08,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:08,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:08,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:08,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:08,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:08,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:08,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:08,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:08,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:08,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:08,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:08,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:08,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:08,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:08,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:08,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:08,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:08,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:08,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:08,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:08,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:08,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:08,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:08,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:08,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:08,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:08,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:08,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:08,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:08,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:08,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:08,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:08,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:08,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:08,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:08,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:08,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:08,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:08,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:08,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:08,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:08,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:08,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:08,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:08,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:08,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:08,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:08,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:08,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:08,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:08,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:08,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:08,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:08,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:08,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:08,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:08,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:08,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:08,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:08,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:08,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:08,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:08,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:08,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:08,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:08,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:08,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:08,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:08,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:08,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:08,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:08,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:08,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:08,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:08,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:08,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:08,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:08,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:08,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:08,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:08,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:08,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:08,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:08,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:08,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:08,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:08,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:08,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:08,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:08,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:08,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:08,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:08,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:08,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:08,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:08,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:08,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:08,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:08,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:08,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:08,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:08,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:08,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:08,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:08,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:08,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:08,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:08,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:08,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:08,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:08,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:08,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:08,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:08,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:08,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:08,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:08,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:08,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:08,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:08,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:08,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:08,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:08,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:08,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:08,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:08,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:08,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:08,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:08,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:08,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:08,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:08,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:08,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:08,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:08,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:08,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:08,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:08,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:08,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:08,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:08,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:08,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:08,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:08,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:08,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:08,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:08,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:08,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:08,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:08,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:08,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:08,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:08,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:08,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:08,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:08,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:08,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:08,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:08,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:08,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:08,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:08,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:08,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:08,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:08,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:08,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:08,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:08,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:08,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:08,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:08,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:08,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:08,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:08,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:08,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:08,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:08,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:08,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:08,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:08,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:08,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:08,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:08,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:08,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:08,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:08,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:08,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:08,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:08,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:08,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:08,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:08,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:08,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:08,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:08,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:08,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:08,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:08,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:08,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:08,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:08,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:08,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:08,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:08,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:08,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:08,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:08,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:08,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:08,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:08,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:08,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:08,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:08,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:08,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:08,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:08,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:08,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:08,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:08,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:08,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:08,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:08,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:08,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:08,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:08,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:08,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:08,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:08,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:08,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:08,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:08,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:08,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:08,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:08,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:08,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:08,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:08,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:08,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:08,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:08,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:08,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:08,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:08,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:08,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:08,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:08,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:08,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:08,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:08,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:08,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:08,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:08,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:08,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:08,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:08,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:08,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:08,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:08,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:08,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:08,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:08,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:08,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:08,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:08,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:08,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:08,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:08,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:08,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:08,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:08,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:08,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:08,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:08,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:08,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:08,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:08,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:08,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:08,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:08,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:08,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:08,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:08,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:08,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:08,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:08,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:08,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:08,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:08,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:08,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:08,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:08,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:08,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:08,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:08,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:08,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:08,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:08,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:08,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:08,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:08,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:08,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:08,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:08,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:08,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:08,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:08,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:08,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:08,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:08,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:08,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:08,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:08,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:08,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:08,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:08,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:08,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:08,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:08,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:08,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:08,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:08,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:08,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:08,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:08,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:08,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:08,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:08,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:08,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:08,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:08,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:08,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:08,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:08,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:08,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:08,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:08,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:08,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:08,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:08,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:08,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:08,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:08,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:08,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:08,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:08,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:08,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:08,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:08,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:08,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:08,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:08,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:08,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:08,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:08,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:08,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:08,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:08,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:08,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:08,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:08,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:08,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:08,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:08,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:08,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:08,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:08,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:08,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:08,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:08,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:08,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:08,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:08,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:08,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:08,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:08,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:08,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:08,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:08,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:08,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:08,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:08,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:08,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:08,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:08,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:08,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:08,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:08,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:08,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:08,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:08,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:08,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:09,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:09,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:09,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:09,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:09,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:09,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:09,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:09,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:09,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:09,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:09,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:09,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:09,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:09,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:09,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:09,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:09,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:09,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:09,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:09,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:09,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:09,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:09,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:09,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:09,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:09,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:09,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:09,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:09,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:09,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:09,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:09,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:09,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:09,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:09,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:09,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:09,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:09,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:09,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:09,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:09,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:09,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:09,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:09,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:09,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:09,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:09,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:09,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:09,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:09,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:09,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:09,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:09,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:09,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:09,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:09,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:09,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:09,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:09,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:09,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:09,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:09,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:09,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:09,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:09,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:09,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:09,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:09,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:09,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:09,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:09,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:09,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:09,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:09,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:09,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:09,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:09,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:09,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:09,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:09,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:09,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:09,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:09,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:09,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:09,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:09,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:09,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:09,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:09,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:09,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:09,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:09,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:09,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:09,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:09,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:09,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:09,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:09,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:09,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:09,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:09,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:09,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:09,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:09,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:09,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:09,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:09,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:09,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:09,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:09,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:09,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:09,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:09,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:09,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:09,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:09,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:09,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:09,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:09,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:09,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:09,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:09,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:09,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:09,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:09,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:09,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:09,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:09,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:09,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:09,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:09,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:09,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:09,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:09,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:09,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:09,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:09,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:09,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:09,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:09,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:09,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:09,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:09,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:09,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:09,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:09,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:09,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:09,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:09,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:09,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:09,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:09,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:09,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:09,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:09,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:09,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:09,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:09,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:09,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:09,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:09,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:09,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:09,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:09,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:09,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:09,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:09,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:09,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:09,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:09,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:09,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:09,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:09,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:09,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:09,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:09,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:09,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:09,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:09,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:09,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:09,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:09,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:09,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:09,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:09,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:09,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:09,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:09,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:09,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:09,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:09,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:09,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:09,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:09,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:09,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:09,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:09,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:09,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:09,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:09,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:09,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:09,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:09,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:09,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:09,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:09,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:09,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:09,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:09,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:09,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:09,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:09,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:09,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:09,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:09,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:09,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:09,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:09,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:09,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:09,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:09,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:09,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:09,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:09,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:09,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:09,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:09,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:09,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:09,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:09,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:09,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:09,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:09,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:09,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:09,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:09,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:09,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:09,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:09,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:09,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:09,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:09,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:09,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:09,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:09,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:09,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:09,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:09,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:09,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:09,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:09,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:09,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:09,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:09,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:09,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:09,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:09,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:09,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:09,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:09,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:09,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:09,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:09,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:09,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:09,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:09,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:09,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:09,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:09,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:09,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:09,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:09,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:09,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:09,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:09,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:09,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:09,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:09,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:09,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:09,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:09,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:09,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:09,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:09,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:09,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:09,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:09,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:09,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:09,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:09,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:09,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:09,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:09,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:09,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:09,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:09,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:09,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:09,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:09,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:09,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:09,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:09,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:09,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:09,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:09,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:09,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:09,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:09,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:09,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:09,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:09,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:09,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:09,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:09,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:09,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:09,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:09,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:09,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:09,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:09,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:09,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:09,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:09,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:09,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:09,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:09,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:09,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:09,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:09,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:09,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:09,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:09,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:09,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:09,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:09,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:09,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:09,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:09,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:09,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:09,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:09,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:09,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:09,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:09,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:09,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:09,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:09,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:09,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:09,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:09,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:09,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:09,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:09,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:09,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:09,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:09,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:09,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:09,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:09,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:09,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:09,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:09,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:09,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:09,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:09,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:09,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:09,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:09,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:09,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:09,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:09,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:09,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:09,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:09,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:09,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:09,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:09,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:09,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:09,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:09,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:09,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:09,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:09,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:09,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:09,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:09,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:09,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:09,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:09,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:09,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:09,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:09,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:09,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:09,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:09,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:09,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:09,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:09,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:09,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:09,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:09,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:09,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:09,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:09,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:09,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:09,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:09,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:09,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:09,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:09,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:09,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:09,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:09,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:09,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:09,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:09,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:09,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:09,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:09,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:09,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:09,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:09,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:09,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:09,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:09,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:09,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:09,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:09,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:09,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:09,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:09,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:09,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:09,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:09,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:09,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:09,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:09,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:09,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:09,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:09,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:09,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:09,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:09,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:09,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:09,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:09,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:09,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:09,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:09,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:09,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:09,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:09,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:09,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:09,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:09,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:09,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:09,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:09,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:09,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:09,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:09,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:09,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:09,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:09,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:09,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:09,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:09,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:09,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:09,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:09,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:09,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:09,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:09,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:09,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:09,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:09,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:09,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:09,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:09,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:09,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:09,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:09,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:09,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:09,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:09,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:09,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:09,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:09,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:09,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:09,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:09,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:09,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:09,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:09,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:09,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:09,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:09,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:09,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:09,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:09,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:09,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:09,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:09,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:09,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:09,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:09,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:09,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:09,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:09,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:09,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:09,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:09,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:09,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:09,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:09,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:09,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:09,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:09,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:09,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:09,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:09,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:09,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:09,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:09,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:09,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:09,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:09,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:09,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:09,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:09,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:09,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:09,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:09,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:09,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:09,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:09,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:09,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:09,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:09,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:09,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:09,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:09,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:09,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:09,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:09,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:09,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:09,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:09,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:09,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:09,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:09,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:09,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:09,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:09,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:09,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:09,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:09,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:09,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:09,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:09,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:10,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:10,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:10,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:10,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:10,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:10,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:10,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:10,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:10,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:10,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:10,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:10,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:10,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:10,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:10,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:10,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:10,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:10,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:10,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:10,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:10,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:10,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:10,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:10,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:10,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:10,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:10,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:10,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:10,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:10,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:10,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:10,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:10,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:10,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:10,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:10,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:10,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:10,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:10,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:10,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:10,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:10,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:10,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:10,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:10,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:10,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:10,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:10,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:10,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:10,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:10,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:10,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:10,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:10,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:10,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:10,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:10,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:10,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:10,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:10,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:10,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:10,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:10,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:10,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:10,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:10,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:10,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:10,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:10,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:10,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:10,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:10,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:10,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:10,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:10,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:10,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:10,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:10,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:10,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:10,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:10,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:10,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:10,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:10,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:10,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:10,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:10,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:10,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:10,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:10,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:10,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:10,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:10,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:10,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:10,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:10,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:10,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:10,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:10,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:10,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:10,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:10,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:10,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:10,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:10,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:10,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:10,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:10,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:10,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:10,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:10,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:10,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:10,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:10,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:10,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:10,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:10,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:10,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:10,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:10,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:10,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:10,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:10,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:10,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:10,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:10,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:10,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:10,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:10,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:10,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:10,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:10,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:10,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:10,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:10,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:10,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:10,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:10,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:10,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:10,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:10,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:10,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:10,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:10,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:10,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:10,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:10,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:10,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:10,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:10,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:10,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:10,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:10,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:10,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:10,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:10,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:10,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:10,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:10,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:10,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:10,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:10,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:10,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:10,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:10,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:10,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:10,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:10,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:10,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:10,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:10,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:10,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:10,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:10,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:10,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:10,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:10,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:10,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:10,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:10,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:10,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:10,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:10,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:10,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:10,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:10,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:10,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:10,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:10,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:10,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:10,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:10,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:10,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:10,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:10,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:10,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:10,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:10,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:10,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:10,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:10,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:10,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:10,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:10,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:10,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:10,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:10,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:10,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:10,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:10,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:10,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:10,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:10,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:10,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:10,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:10,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:10,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:10,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:10,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:10,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:10,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:10,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:10,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:10,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:10,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:10,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:10,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:10,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:10,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:10,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:10,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:10,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:10,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:10,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:10,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:10,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:10,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:10,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:10,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:10,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:10,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:10,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:10,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:10,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:10,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:10,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:10,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:10,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:10,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:10,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:10,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:10,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:10,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:10,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:10,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:10,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:10,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:10,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:10,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:10,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:10,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:10,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:10,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:10,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:10,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:10,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:10,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:10,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:10,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:10,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:10,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:10,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:10,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:10,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:10,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:10,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:10,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:10,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:10,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:10,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:10,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:10,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:10,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:10,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:10,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:10,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:10,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:10,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:10,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:10,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:10,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:10,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:10,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:10,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:10,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:10,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:10,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:10,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:10,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:10,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:10,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:10,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:10,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:10,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:10,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:10,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:10,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:10,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:10,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:10,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:10,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:10,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:10,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:10,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:10,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:10,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:10,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:10,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:10,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:10,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:10,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:10,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:10,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:10,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:10,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:10,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:10,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:10,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:10,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:10,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:10,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:10,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:10,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:10,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:10,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:10,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:10,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:10,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:10,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:10,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:10,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:10,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:10,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:10,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:10,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:10,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:10,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:10,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:10,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:10,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:10,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:10,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:10,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:10,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:10,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:10,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:10,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:10,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:10,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:10,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:10,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:10,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:10,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:10,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:10,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:10,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:10,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:10,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:10,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:10,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:10,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:10,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:10,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:10,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:10,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:10,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:10,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:10,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:10,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:10,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:10,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:10,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:10,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:10,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:10,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:10,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:10,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:10,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:10,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:10,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:10,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:10,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:10,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:10,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:10,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:10,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:10,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:10,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:10,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:10,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:10,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:10,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:10,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:10,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:10,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:10,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:10,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:10,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:10,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:10,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:10,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:10,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:10,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:10,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:10,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:10,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:10,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:10,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:10,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:10,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:10,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:10,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:10,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:10,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:10,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:10,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:10,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:10,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:10,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:10,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:10,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:10,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:10,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:10,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:10,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:10,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:10,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:10,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:10,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:10,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:10,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:10,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:10,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:10,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:10,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:10,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:10,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:10,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:10,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:10,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:10,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:10,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:10,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:10,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:10,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:10,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:10,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:10,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:10,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:10,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:10,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:10,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:10,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:10,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:10,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:10,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:10,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:10,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:10,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:10,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:10,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:10,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:10,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:10,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:10,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:10,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:10,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:10,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:10,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:10,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:10,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:10,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:10,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:10,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:10,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:10,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:10,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:10,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:10,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:10,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:10,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:10,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:10,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:10,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:10,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:10,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:10,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:10,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:10,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:10,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:10,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:10,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:10,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:10,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:10,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:10,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:10,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:10,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:10,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:10,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:10,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:10,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:10,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:10,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:10,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:10,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:10,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:10,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:10,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:10,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:10,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:10,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:10,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:10,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:10,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:10,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:10,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:10,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:10,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:10,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:10,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:10,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:10,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:10,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:10,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:10,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:10,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:10,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:10,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:10,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:11,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:11,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:11,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:11,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:11,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:11,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:11,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:11,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:11,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:11,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:11,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:11,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:11,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:11,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:11,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:11,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:11,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:11,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:11,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:11,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:11,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:11,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:11,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:11,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:11,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:11,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:11,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:11,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:11,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:11,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:11,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:11,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:11,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:11,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:11,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:11,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:11,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:11,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:11,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:11,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:11,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:11,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:11,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:11,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:11,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:11,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:11,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:11,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:11,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:11,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:11,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:11,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:11,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:11,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:11,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:11,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:11,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:11,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:11,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:11,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:11,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:11,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:11,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:11,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:11,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:11,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:11,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:11,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:11,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:11,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:11,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:11,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:11,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:11,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:11,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:11,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:11,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:11,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:11,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:11,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:11,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:11,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:11,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:11,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:11,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:11,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:11,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:11,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:11,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:11,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:11,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:11,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:11,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:11,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:11,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:11,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:11,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:11,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:11,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:11,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:11,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:11,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:11,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:11,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:11,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:11,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:11,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:11,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:11,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:11,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:11,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:11,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:11,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:11,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:11,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:11,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:11,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:11,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:11,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:11,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:11,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:11,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:11,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:11,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:11,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:11,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:11,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:11,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:11,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:11,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:11,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:11,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:11,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:11,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:11,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:11,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:11,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:11,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:11,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:11,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:11,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:11,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:11,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:11,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:11,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:11,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:11,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:11,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:11,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:11,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:11,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:11,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:11,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:11,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:11,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:11,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:11,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:11,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:11,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:11,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:11,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:11,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:11,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:11,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:11,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:11,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:11,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:11,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:11,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:11,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:11,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:11,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:11,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:11,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:11,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:11,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:11,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:11,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:11,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:11,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:11,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:11,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:11,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:11,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:11,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:11,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:11,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:11,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:11,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:11,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:11,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:11,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:11,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:11,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:11,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:11,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:11,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:11,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:11,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:11,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:11,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:11,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:11,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:11,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:11,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:11,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:11,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:11,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:11,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:11,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:11,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:11,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:11,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:11,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:11,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:11,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:11,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:11,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:11,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:11,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:11,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:11,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:11,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:11,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:11,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:11,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:11,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:11,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:11,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:11,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:11,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:11,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:11,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:11,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:11,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:11,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:11,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:11,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:11,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:11,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:11,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:11,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:11,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:11,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:11,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:11,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:11,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:11,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:11,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:11,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:11,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:11,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:11,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:11,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:11,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:11,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:11,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:11,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:11,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:11,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:11,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:11,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:11,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:11,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:11,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:11,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:11,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:11,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:11,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:11,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:11,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:11,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:11,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:11,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:11,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:11,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:11,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:11,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:11,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:11,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:11,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:11,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:11,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:11,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:11,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:11,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:11,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:11,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:11,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:11,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:11,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:11,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:11,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:11,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:11,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:11,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:11,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:11,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:11,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:11,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:11,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:11,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:11,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:11,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:11,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:11,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:11,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:11,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:11,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:11,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:11,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:11,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:11,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:11,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:11,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:11,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:11,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:11,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:11,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:11,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:11,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:11,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:11,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:11,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:11,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:11,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:11,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:11,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:11,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:11,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:11,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:11,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:11,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:11,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:11,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:11,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:11,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:11,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:11,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:11,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:11,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:11,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:11,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:11,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:11,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:11,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:11,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:11,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:11,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:11,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:11,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:11,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:11,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:11,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:11,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:11,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:11,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:11,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:11,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:11,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:11,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:11,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:11,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:11,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:11,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:11,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:11,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:11,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:11,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:11,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:11,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:11,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:11,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:11,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:11,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:11,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:11,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:11,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:11,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:11,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:11,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:11,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:11,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:11,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:11,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:11,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:11,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:11,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:11,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:11,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:11,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:11,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:11,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:11,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:11,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:11,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:11,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:11,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:11,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:11,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:11,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:11,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:11,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:11,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:11,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:11,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:11,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:11,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:11,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:11,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:11,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:11,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:11,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:11,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:11,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:11,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:11,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:11,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:11,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:11,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:11,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:11,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:11,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:11,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:11,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:11,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:11,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:11,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:11,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:11,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:11,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:11,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:11,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:11,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:11,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:11,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:11,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:11,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:11,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:11,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:11,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:11,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:11,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:11,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:11,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:11,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:11,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:11,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:11,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:11,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:11,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:11,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:11,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:11,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:11,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:11,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:11,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:11,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:11,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:11,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:11,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:11,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:11,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:11,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:11,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:11,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:11,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:11,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:11,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:11,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:11,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:11,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:11,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:11,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:11,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:11,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:11,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:11,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:11,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:11,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:11,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:11,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:11,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:11,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:11,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:11,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:11,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:11,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:11,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:11,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:11,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:11,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:11,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:11,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:11,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:11,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:11,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:11,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:11,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:11,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:11,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:11,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:11,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:11,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:11,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:11,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:11,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:11,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:11,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:11,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:11,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:11,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:11,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:11,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:11,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:11,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:11,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:11,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:11,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:11,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:11,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:11,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:11,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:11,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:11,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:11,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:11,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:11,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:11,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:11,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:11,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:11,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:11,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:11,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:11,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:11,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:11,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:11,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:11,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:11,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:11,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:11,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:11,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:11,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:11,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:11,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:11,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:11,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:11,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:11,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:11,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:12,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:12,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:12,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:12,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:12,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:12,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:12,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:12,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:12,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:12,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:12,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:12,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:12,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:12,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:12,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:12,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:12,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:12,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:12,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:12,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:12,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:12,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:12,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:12,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:12,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:12,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:12,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:12,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:12,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:12,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:12,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:12,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:12,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:12,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:12,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:12,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:12,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:12,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:12,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:12,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:12,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:12,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:12,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:12,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:12,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:12,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:12,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:12,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:12,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:12,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:12,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:12,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:12,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:12,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:12,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:12,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:12,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:12,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:12,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:12,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:12,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:12,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:12,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:12,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:12,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:12,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:12,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:12,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:12,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:12,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:12,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:12,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:12,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:12,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:12,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:12,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:12,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:12,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:12,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:12,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:12,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:12,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:12,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:12,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:12,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:12,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:12,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:12,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:12,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:12,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:12,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:12,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:12,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:12,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:12,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:12,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:12,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:12,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:12,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:12,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:12,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:12,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:12,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:12,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:12,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:12,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:12,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:12,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:12,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:12,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:12,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:12,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:12,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:12,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:12,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:12,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:12,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:12,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:12,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:12,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:12,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:12,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:12,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:12,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:12,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:12,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:12,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:12,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:12,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:12,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:12,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:12,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:12,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:12,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:12,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:12,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:12,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:12,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:12,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:12,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:12,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:12,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:12,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:12,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:12,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:12,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:12,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:12,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:12,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:12,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:12,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:12,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:12,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:12,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:12,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:12,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:12,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:12,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:12,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:12,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:12,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:12,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:12,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:12,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:12,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:12,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:12,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:12,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:12,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:12,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:12,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:12,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:12,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:12,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:12,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:12,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:12,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:12,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:12,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:12,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:12,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:12,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:12,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:12,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:12,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:12,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:12,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:12,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:12,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:12,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:12,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:12,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:12,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:12,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:12,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:12,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:12,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:12,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:12,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:12,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:12,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:12,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:12,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:12,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:12,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:12,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:12,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:12,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:12,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:12,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:12,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:12,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:12,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:12,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:12,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:12,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:12,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:12,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:12,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:12,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:12,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:12,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:12,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:12,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:12,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:12,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:12,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:12,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:12,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:12,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:12,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:12,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:12,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:12,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:12,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:12,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:12,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:12,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:12,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:12,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:12,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:12,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:12,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:12,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:12,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:12,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:12,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:12,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:12,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:12,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:12,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:12,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:12,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:12,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:12,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:12,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:12,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:12,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:12,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:12,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:12,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:12,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:12,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:12,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:12,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:12,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:12,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:12,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:12,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:12,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:12,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:12,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:12,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:12,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:12,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:12,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:12,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:12,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:12,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:12,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:12,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:12,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:12,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:12,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:12,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:12,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:12,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:12,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:12,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:12,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:12,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:12,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:12,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:12,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:12,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:12,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:12,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:12,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:12,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:12,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:12,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:12,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:12,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:12,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:12,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:12,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:12,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:12,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:12,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:12,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:12,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:12,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:12,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:12,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:12,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:12,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:12,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:12,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:12,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:12,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:12,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:12,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:12,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:12,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:12,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:12,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:12,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:12,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:12,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:12,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:12,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:12,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:12,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:12,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:12,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:12,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:12,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:12,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:12,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:12,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:12,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:12,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:12,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:12,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:12,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:12,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:12,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:12,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:12,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:12,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:12,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:12,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:12,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:12,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:12,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:12,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:12,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:12,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:12,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:12,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:12,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:12,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:12,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:12,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:12,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:12,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:12,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:12,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:12,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:12,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:12,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:12,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:12,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:12,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:12,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:12,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:12,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:12,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:12,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:12,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:12,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:12,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:12,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:12,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:12,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:12,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:12,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:12,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:12,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:12,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:12,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:12,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:12,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:12,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:12,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:12,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:12,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:12,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:12,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:12,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:12,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:12,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:12,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:12,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:12,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:12,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:12,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:12,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:12,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:12,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:12,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:12,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:12,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:12,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:12,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:12,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:12,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:12,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:12,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:12,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:12,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:12,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:12,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:12,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:12,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:12,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:12,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:12,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:12,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:12,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:12,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:12,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:12,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:12,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:12,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:12,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:12,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:12,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:12,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:12,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:12,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:12,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:12,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:12,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:12,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:12,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:12,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:12,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:12,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:12,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:12,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:12,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:12,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:12,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:12,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:12,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:12,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:12,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:12,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:12,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:12,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:12,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:12,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:12,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:12,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:12,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:12,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:12,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:12,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:12,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:12,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:12,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:12,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:12,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:12,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:12,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:12,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:12,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:12,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:12,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:12,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:12,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:12,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:12,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:12,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:12,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:12,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:12,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:12,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:12,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:12,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:12,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:12,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:12,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:12,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:12,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:12,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:12,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:12,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:12,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:12,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:12,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:12,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:12,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:12,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:12,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:12,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:12,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:12,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:12,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:12,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:12,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:12,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:12,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:12,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:12,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:12,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:12,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:12,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:12,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:12,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:12,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:12,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:12,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:12,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:12,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:12,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:12,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:12,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:12,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:12,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:12,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:12,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:12,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:12,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:12,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:12,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:12,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:12,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:12,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:12,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:12,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:13,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:13,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:13,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:13,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:13,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:13,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:13,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:13,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:13,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:13,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:13,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:13,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:13,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:13,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:13,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:13,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:13,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:13,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:13,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:13,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:13,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:13,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:13,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:13,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:13,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:13,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:13,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:13,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:13,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:13,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:13,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:13,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:13,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:13,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:13,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:13,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:13,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:13,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:13,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:13,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:13,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:13,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:13,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:13,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:13,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:13,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:13,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:13,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:13,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:13,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:13,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:13,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:13,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:13,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:13,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:13,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:13,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:13,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:13,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:13,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:13,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:13,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:13,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:13,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:13,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:13,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:13,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:13,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:13,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:13,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:13,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:13,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:13,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:13,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:13,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:13,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:13,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:13,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:13,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:13,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:13,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:13,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:13,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:13,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:13,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:13,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:13,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:13,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:13,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:13,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:13,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:13,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:13,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:13,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:13,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:13,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:13,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:13,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:13,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:13,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:13,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:13,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:13,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:13,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:13,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:13,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:13,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:13,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:13,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:13,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:13,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:13,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:13,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:13,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:13,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:13,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:13,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:13,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:13,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:13,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:13,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:13,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:13,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:13,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:13,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:13,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:13,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:13,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:13,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:13,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:13,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:13,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:13,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:13,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:13,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:13,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:13,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:13,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:13,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:13,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:13,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:13,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:13,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:13,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:13,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:13,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:13,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:13,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:13,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:13,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:13,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:13,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:13,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:13,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:13,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:13,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:13,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:13,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:13,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:13,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:13,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:13,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:13,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:13,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:13,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:13,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:13,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:13,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:13,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:13,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:13,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:13,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:13,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:13,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:13,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:13,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:13,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:13,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:13,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:13,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:13,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:13,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:13,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:13,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:13,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:13,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:13,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:13,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:13,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:13,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:13,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:13,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:13,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:13,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:13,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:13,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:13,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:13,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:13,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:13,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:13,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:13,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:13,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:13,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:13,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:13,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:13,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:13,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:13,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:13,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:13,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:13,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:13,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:13,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:13,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:13,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:13,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:13,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:13,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:13,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:13,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:13,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:13,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:13,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:13,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:13,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:13,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:13,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:13,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:13,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:13,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:13,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:13,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:13,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:13,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:13,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:13,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:13,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:13,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:13,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:13,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:13,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:13,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:13,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:13,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:13,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:13,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:13,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:13,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:13,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:13,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:13,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:13,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:13,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:13,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:13,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:13,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:13,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:13,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:13,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:13,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:13,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:13,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:13,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:13,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:13,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:13,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:13,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:13,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:13,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:13,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:13,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:13,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:13,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:13,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:13,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:13,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:13,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:13,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:13,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:13,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:13,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:13,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:13,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:13,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:13,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:13,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:13,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:13,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:13,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:13,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:13,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:13,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:13,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:13,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:13,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:13,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:13,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:13,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:13,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:13,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:13,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:13,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:13,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:13,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:13,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:13,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:13,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:13,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:13,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:13,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:13,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:13,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:13,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:13,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:13,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:13,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:13,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:13,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:13,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:13,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:13,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:13,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:13,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:13,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:13,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:13,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:13,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:13,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:13,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:13,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:13,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:13,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:13,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:13,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:13,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:13,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:13,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:13,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:13,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:13,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:13,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:13,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:13,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:13,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:13,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:13,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:13,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:13,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:13,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:13,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:13,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:13,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:13,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:13,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:13,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:13,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:13,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:13,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:13,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:13,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:13,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:13,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:13,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:13,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:13,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:13,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:13,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:13,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:13,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:13,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:13,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:13,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:13,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:13,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:13,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:13,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:13,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:13,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:13,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:13,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:13,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:13,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:13,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:13,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:13,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:13,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:13,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:13,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:13,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:13,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:13,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:13,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:13,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:13,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:13,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:13,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:13,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:13,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:13,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:13,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:13,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:13,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:13,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:13,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:13,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:13,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:13,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:13,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:13,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:13,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:13,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:13,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:13,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:13,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:13,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:13,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:13,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:13,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:13,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:13,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:13,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:13,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:13,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:13,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:13,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:13,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:13,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:13,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:13,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:13,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:13,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:13,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:13,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:13,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:13,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:13,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:13,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:13,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:13,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:13,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:13,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:13,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:13,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:13,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:13,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:13,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:13,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:13,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:13,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:13,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:13,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:13,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:13,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:13,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:13,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:13,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:13,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:13,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:13,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:13,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:13,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:13,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:13,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:13,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:13,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:13,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:13,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:13,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:13,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:13,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:13,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:13,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:13,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:13,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:13,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:13,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:13,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:13,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:13,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:13,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:13,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:13,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:13,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:13,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:13,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:13,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:13,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:13,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:13,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:13,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:13,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:13,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:13,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:13,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:13,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:13,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:13,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:13,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:13,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:13,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:13,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:13,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:13,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:13,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:13,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:13,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:13,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:13,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:13,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:13,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:13,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:13,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:13,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:13,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:13,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:13,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:13,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:13,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:13,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:13,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:13,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:13,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:13,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:13,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:13,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:13,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:13,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:13,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:13,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:13,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:13,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:13,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:13,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:13,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:13,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:13,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:13,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:13,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:13,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:13,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:13,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:13,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:13,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:13,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:13,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:13,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:13,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:14,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:14,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:14,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:14,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:14,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:14,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:14,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:14,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:14,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:14,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:14,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:14,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:14,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:14,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:14,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:14,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:14,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:14,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:14,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:14,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:14,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:14,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:14,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:14,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:14,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:14,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:14,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:14,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:14,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:14,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:14,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:14,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:14,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:14,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:14,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:14,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:14,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:14,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:14,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:14,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:14,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:14,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:14,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:14,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:14,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:14,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:14,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:14,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:14,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:14,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:14,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:14,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:14,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:14,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:14,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:14,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:14,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:14,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:14,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:14,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:14,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:14,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:14,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:14,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:14,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:14,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:14,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:14,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:14,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:14,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:14,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:14,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:14,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:14,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:14,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:14,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:14,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:14,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:14,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:14,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:14,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:14,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:14,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:14,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:14,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:14,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:14,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:14,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:14,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:14,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:14,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:14,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:14,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:14,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:14,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:14,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:14,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:14,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:14,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:14,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:14,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:14,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:14,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:14,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:14,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:14,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:14,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:14,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:14,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:14,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:14,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:14,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:14,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:14,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:14,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:14,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:14,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:14,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:14,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:14,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:14,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:14,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:14,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:14,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:14,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:14,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:14,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:14,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:14,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:14,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:14,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:14,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:14,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:14,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:14,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:14,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:14,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:14,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:14,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:14,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:14,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:14,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:14,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:14,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:14,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:14,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:14,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:14,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:14,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:14,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:14,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:14,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:14,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:14,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:14,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:14,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:14,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:14,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:14,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:14,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:14,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:14,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:14,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:14,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:14,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:14,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:14,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:14,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:14,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:14,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:14,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:14,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:14,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:14,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:14,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:14,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:14,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:14,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:14,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:14,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:14,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:14,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:14,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:14,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:14,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:14,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:14,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:14,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:14,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:14,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:14,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:14,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:14,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:14,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:14,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:14,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:14,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:14,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:14,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:14,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:14,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:14,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:14,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:14,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:14,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:14,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:14,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:14,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:14,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:14,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:14,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:14,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:14,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:14,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:14,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:14,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:14,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:14,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:14,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:14,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:14,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:14,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:14,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:14,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:14,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:14,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:14,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:14,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:14,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:14,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:14,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:14,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:14,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:14,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:14,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:14,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:14,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:14,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:14,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:14,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:14,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:14,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:14,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:14,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:14,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:14,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:14,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:14,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:14,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:14,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:14,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:14,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:14,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:14,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:14,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:14,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:14,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:14,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:14,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:14,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:14,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:14,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:14,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:14,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:14,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:14,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:14,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:14,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:14,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:14,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:14,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:14,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:14,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:14,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:14,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:14,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:14,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:14,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:14,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:14,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:14,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:14,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:14,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:14,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:14,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:14,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:14,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:14,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:14,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:14,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:14,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:14,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:14,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:14,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:14,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:14,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:14,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:14,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:14,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:14,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:14,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:14,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:14,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:14,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:14,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:14,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:14,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:14,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:14,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:14,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:14,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:14,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:14,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:14,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:14,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:14,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:14,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:14,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:14,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:14,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:14,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:14,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:14,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:14,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:14,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:14,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:14,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:14,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:14,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:14,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:14,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:14,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:14,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:14,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:14,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:14,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:14,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:14,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:14,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:14,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:14,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:14,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:14,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:14,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:14,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:14,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:14,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:14,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:14,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:14,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:14,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:14,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:14,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:14,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:14,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:14,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:14,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:14,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:14,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:14,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:14,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:14,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:14,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:14,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:14,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:14,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:14,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:14,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:14,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:14,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:14,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:14,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:14,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:14,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:14,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:14,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:14,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:14,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:14,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:14,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:14,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:14,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:14,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:14,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:14,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:14,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:14,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:14,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:14,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:14,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:14,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:14,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:14,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:14,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:14,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:14,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:14,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:14,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:14,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:14,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:14,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:14,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:14,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:14,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:14,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:14,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:14,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:14,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:14,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:14,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:14,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:14,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:14,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:14,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:14,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:14,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:14,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:14,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:14,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:14,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:14,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:14,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:14,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:14,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:14,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:14,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:14,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:14,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:14,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:14,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:14,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:14,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:14,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:14,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:14,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:14,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:14,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:14,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:14,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:14,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:14,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:14,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:14,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:14,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:14,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:14,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:14,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:14,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:14,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:14,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:14,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:14,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:14,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:14,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:14,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:14,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:14,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:14,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:14,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:14,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:14,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:14,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:14,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:14,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:14,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:14,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:14,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:14,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:14,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:14,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:14,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:14,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:14,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:14,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:14,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:14,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:14,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:14,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:14,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:14,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:14,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:14,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:14,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:14,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:14,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:14,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:14,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:14,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:14,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:14,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:14,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:14,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:14,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:14,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:14,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:14,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:14,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:14,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:14,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:14,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:14,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:14,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:14,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:14,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:14,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:14,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:14,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:14,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:14,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:14,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:14,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:14,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:14,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:14,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:14,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:14,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:14,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:14,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:14,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:14,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:14,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:14,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:14,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:14,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:14,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:14,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:14,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:14,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:14,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:14,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:14,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:14,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:14,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:14,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:14,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:14,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:14,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:14,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:14,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:14,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:14,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:14,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:14,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:14,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:15,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:15,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:15,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:15,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:15,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:15,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:15,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:15,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:15,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:15,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:15,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:15,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:15,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:15,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:15,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:15,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:15,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:15,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:15,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:15,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:15,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:15,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:15,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:15,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:15,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:15,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:15,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:15,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:15,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:15,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:15,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:15,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:15,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:15,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:15,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:15,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:15,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:15,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:15,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:15,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:15,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:15,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:15,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:15,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:15,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:15,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:15,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:15,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:15,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:15,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:15,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:15,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:15,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:15,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:15,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:15,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:15,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:15,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:15,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:15,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:15,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:15,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:15,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:15,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:15,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:15,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:15,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:15,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:15,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:15,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:15,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:15,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:15,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:15,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:15,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:15,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:15,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:15,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:15,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:15,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:15,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:15,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:15,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:15,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:15,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:15,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:15,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:15,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:15,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:15,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:15,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:15,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:15,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:15,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:15,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:15,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:15,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:15,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:15,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:15,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:15,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:15,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:15,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:15,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:15,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:15,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:15,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:15,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:15,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:15,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:15,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:15,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:15,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:15,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:15,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:15,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:15,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:15,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:15,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:15,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:15,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:15,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:15,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:15,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:15,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:15,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:15,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:15,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:15,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:15,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:15,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:15,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:15,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:15,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:15,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:15,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:15,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:15,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:15,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:15,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:15,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:15,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:15,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:15,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:15,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:15,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:15,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:15,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:15,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:15,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:15,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:15,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:15,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:15,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:15,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:15,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:15,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:15,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:15,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:15,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:15,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:15,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:15,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:15,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:15,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:15,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:15,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:15,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:15,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:15,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:15,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:15,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:15,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:15,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:15,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:15,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:15,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:15,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:15,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:15,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:15,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:15,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:15,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:15,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:15,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:15,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:15,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:15,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:15,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:15,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:15,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:15,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:15,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:15,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:15,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:15,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:15,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:15,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:15,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:15,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:15,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:15,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:15,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:15,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:15,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:15,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:15,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:15,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:15,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:15,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:15,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:15,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:15,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:15,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:15,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:15,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:15,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:15,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:15,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:15,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:15,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:15,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:15,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:15,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:15,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:15,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:15,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:15,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:15,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:15,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:15,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:15,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:15,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:15,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:15,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:15,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:15,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:15,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:15,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:15,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:15,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:15,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:15,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:15,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:15,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:15,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:15,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:15,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:15,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:15,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:15,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:15,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:15,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:15,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:15,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:15,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:15,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:15,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:15,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:15,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:15,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:15,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:15,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:15,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:15,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:15,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:15,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:15,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:15,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:15,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:15,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:15,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:15,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:15,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:15,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:15,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:15,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:15,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:15,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:15,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:15,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:15,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:15,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:15,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:15,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:15,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:15,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:15,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:15,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:15,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:15,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:15,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:15,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:15,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:15,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:15,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:15,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:15,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:15,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:15,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:15,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:15,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:15,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:15,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:15,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:15,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:15,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:15,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:15,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:15,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:15,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:15,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:15,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:15,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:15,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:15,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:15,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:15,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:15,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:15,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:15,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:15,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:15,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:15,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:15,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:15,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:15,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:15,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:15,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:15,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:15,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:15,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:15,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:15,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:15,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:15,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:15,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:15,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:15,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:15,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:15,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:15,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:15,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:15,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:15,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:15,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:15,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:15,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:15,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:15,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:15,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:15,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:15,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:15,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:15,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:15,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:15,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:15,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:15,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:15,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:15,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:15,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:15,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:15,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:15,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:15,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:15,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:15,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:15,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:15,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:15,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:15,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:15,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:15,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:15,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:15,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:15,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:15,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:15,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:15,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:15,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:15,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:15,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:15,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:15,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:15,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:15,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:15,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:15,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:15,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:15,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:15,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:15,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:15,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:15,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:15,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:15,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:15,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:15,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:15,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:15,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:15,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:15,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:15,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:15,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:15,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:15,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:15,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:15,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:15,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:15,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:15,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:15,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:15,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:15,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:15,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:15,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:15,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:15,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:15,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:15,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:15,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:15,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:15,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:15,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:15,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:15,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:15,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:16,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:16,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:16,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:16,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:16,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:16,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:16,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:16,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:16,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:16,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:16,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:16,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:16,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:16,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:16,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:16,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:16,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:16,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:16,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:16,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:16,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:16,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:16,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:16,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:16,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:16,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:16,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:16,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:16,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:16,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:16,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:16,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:16,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:16,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:16,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:16,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:16,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:16,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:16,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:16,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:16,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:16,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:16,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:16,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:16,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:16,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:16,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:16,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:16,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:16,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:16,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:16,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:16,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:16,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:16,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:16,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:16,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:16,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:16,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:16,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:16,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:16,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:16,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:16,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:16,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:16,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:16,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:16,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:16,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:16,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:16,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:16,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:16,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:16,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:16,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:16,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:16,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:16,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:16,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:16,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:16,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:16,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:16,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:16,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:16,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:16,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:16,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:16,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:16,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:16,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:16,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:16,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:16,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:16,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:16,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:16,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:16,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:16,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:16,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:16,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:16,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:16,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:16,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:16,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:16,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:16,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:16,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:16,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:16,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:16,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:16,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:16,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:16,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:16,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:16,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:16,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:16,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:16,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:16,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:16,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:16,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:16,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:16,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:16,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:16,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:16,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:16,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:16,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:16,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:16,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:16,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:16,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:16,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:16,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:16,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:16,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:16,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:16,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:16,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:16,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:16,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:16,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:16,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:16,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:16,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:16,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:16,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:16,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:16,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:16,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:16,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:16,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:16,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:16,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:16,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:16,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:16,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:16,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:16,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:16,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:16,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:16,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:16,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:16,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:16,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:16,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:16,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:16,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:16,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:16,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:16,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:16,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:16,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:16,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:16,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:16,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:16,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:16,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:16,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:16,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:16,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:16,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:16,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:16,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:16,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:16,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:16,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:16,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:16,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:16,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:16,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:16,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:16,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:16,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:16,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:16,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:16,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:16,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:16,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:16,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:16,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:16,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:16,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:16,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:16,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:16,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:16,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:16,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:16,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:16,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:16,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:16,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:16,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:16,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:16,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:16,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:16,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:16,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:16,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:16,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:16,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:16,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:16,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:16,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:16,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:16,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:16,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:16,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:16,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:16,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:16,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:16,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:16,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:16,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:16,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:16,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:16,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:16,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:16,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:16,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:16,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:16,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:16,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:16,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:16,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:16,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:16,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:16,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:16,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:16,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:16,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:16,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:16,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:16,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:16,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:16,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:16,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:16,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:16,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:16,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:16,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:16,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:16,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:16,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:16,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:16,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:16,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:16,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:16,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:16,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:16,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:16,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:16,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:16,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:16,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:16,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:16,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:16,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:16,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:16,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:16,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:16,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:16,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:16,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:16,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:16,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:16,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:16,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:16,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:16,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:16,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:16,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:16,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:16,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:16,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:16,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:16,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:16,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:16,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:16,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:16,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:16,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:16,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:16,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:16,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:16,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:16,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:16,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:16,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:16,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:16,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:16,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:16,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:16,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:16,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:16,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:16,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:16,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:16,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:16,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:16,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:16,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:16,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:16,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:16,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:16,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:16,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:16,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:16,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:16,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:16,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:16,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:16,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:16,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:16,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:16,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:16,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:16,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:16,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:16,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:16,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:16,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:16,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:16,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:16,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:16,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:16,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:16,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:16,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:16,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:16,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:16,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:16,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:16,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:16,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:16,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:16,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:16,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:16,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:16,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:16,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:16,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:16,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:16,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:16,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:16,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:16,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:16,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:16,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:16,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:16,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:16,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:16,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:16,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:16,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:16,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:16,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:16,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:16,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:16,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:16,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:16,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:16,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:16,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:16,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:16,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:16,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:16,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:16,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:16,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:16,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:16,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:16,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:16,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:16,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:16,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:16,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:16,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:16,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:16,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:16,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:16,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:16,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:16,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:16,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:16,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:16,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:16,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:16,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:16,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:16,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:16,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:16,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:16,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:16,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:16,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:16,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:16,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:16,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:16,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:16,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:16,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:16,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:16,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:16,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:16,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:16,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:16,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:16,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:16,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:16,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:16,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:16,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:16,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:16,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:16,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:16,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:16,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:16,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:16,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:16,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:16,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:16,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:16,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:16,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:16,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:16,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:16,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:16,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:16,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:16,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:16,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:16,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:16,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:16,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:16,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:16,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:16,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:16,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:16,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:16,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:16,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:16,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:16,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:16,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:16,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:16,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:16,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:16,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:16,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:16,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:16,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:16,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:16,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:16,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:16,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:16,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:16,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:16,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:16,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:16,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:16,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:16,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:16,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:16,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:16,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:16,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:16,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:16,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:16,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:16,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:16,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:16,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:16,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:16,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:16,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:16,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:16,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:16,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:16,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:16,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:16,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:16,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:16,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:16,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:16,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:16,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:16,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:16,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:16,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:16,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:16,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:16,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:16,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:16,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:16,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:16,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:16,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:16,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:16,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:16,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:16,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:16,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:16,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:16,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:16,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:16,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:16,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:17,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:17,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:17,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:17,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:17,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:17,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:17,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:17,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:17,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:17,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:17,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:17,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:17,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:17,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:17,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:17,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:17,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:17,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:17,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:17,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:17,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:17,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:17,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:17,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:17,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:17,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:17,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:17,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:17,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:17,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:17,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:17,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:17,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:17,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:17,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:17,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:17,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:17,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:17,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:17,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:17,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:17,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:17,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:17,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:17,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:17,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:17,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:17,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:17,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:17,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:17,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:17,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:17,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:17,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:17,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:17,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:17,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:17,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:17,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:17,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:17,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:17,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:17,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:17,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:17,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:17,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:17,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:17,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:17,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:17,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:17,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:17,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:17,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:17,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:17,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:17,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:17,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:17,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:17,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:17,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:17,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:17,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:17,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:17,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:17,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:17,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:17,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:17,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:17,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:17,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:17,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:17,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:17,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:17,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:17,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:17,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:17,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:17,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:17,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:17,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:17,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:17,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:17,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:17,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:17,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:17,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:17,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:17,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:17,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:17,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:17,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:17,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:17,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:17,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:17,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:17,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:17,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:17,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:17,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:17,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:17,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:17,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:17,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:17,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:17,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:17,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:17,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:17,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:17,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:17,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:17,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:17,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:17,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:17,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:17,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:17,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:17,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:17,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:17,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:17,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:17,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:17,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:17,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:17,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:17,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:17,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:17,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:17,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:17,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:17,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:17,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:17,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:17,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:17,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:17,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:17,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:17,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:17,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:17,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:17,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:17,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:17,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:17,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:17,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:17,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:17,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:17,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:17,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:17,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:17,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:17,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:17,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:17,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:17,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:17,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:17,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:17,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:17,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:17,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:17,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:17,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:17,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:17,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:17,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:17,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:17,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:17,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:17,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:17,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:17,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:17,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:17,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:17,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:17,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:17,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:17,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:17,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:17,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:17,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:17,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:17,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:17,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:17,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:17,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:17,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:17,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:17,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:17,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:17,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:17,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:17,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:17,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:17,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:17,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:17,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:17,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:17,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:17,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:17,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:17,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:17,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:17,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:17,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:17,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:17,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:17,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:17,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:17,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:17,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:17,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:17,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:17,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:17,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:17,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:17,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:17,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:17,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:17,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:17,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:17,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:17,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:17,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:17,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:17,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:17,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:17,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:17,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:17,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:17,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:17,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:17,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:17,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:17,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:17,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:17,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:17,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:17,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:17,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:17,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:17,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:17,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:17,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:17,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:17,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:17,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:17,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:17,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:17,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:17,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:17,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:17,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:17,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:17,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:17,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:17,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:17,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:17,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:17,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:17,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:17,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:17,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:17,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:17,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:17,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:17,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:17,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:17,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:17,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:17,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:17,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:17,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:17,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:17,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:17,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:17,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:17,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:17,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:17,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:17,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:17,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:17,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:17,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:17,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:17,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:17,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:17,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:17,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:17,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:17,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:17,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:17,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:17,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:17,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:17,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:17,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:17,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:17,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:17,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:17,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:17,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:17,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:17,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:17,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:17,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:17,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:17,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:17,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:17,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:17,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:17,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:17,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:17,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:17,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:17,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:17,602   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:17,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:17,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:17,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:17,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:17,611   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:17,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:17,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:17,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:17,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:17,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:17,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:17,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:17,627   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:17,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:17,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:17,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:17,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:17,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:17,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:17,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:17,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:17,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:17,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:17,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:17,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:17,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:17,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:17,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:17,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:17,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:17,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:17,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:17,664   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:17,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:17,668   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:17,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:17,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:17,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:17,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:17,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:17,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:17,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:17,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:17,685   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:17,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:17,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:17,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:17,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:17,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:17,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:17,697   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:17,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:17,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:17,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:17,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:17,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:17,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:17,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:17,713   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:17,715   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:17,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:17,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:17,720   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:17,722   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:17,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:17,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:17,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:17,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:17,731   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:17,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:17,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:17,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:17,737   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:17,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:17,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:17,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:17,744   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:17,746   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:17,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:17,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:17,750   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:17,752   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:17,754   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:17,756   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:17,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:17,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:17,760   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:17,762   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:17,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:17,765   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:17,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:17,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:17,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:17,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:17,774   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:17,776   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:17,778   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:17,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:17,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:17,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:17,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:17,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:17,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:17,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:17,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:17,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:17,796   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:17,798   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:17,799   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:17,801   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:17,803   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:17,805   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:17,807   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:17,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:17,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:17,811   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:17,813   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:17,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:17,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:17,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:17,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:17,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:17,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:17,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:17,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:17,829   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:17,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:17,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:17,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:17,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:17,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:17,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:17,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:17,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:17,844   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:17,846   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:17,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:17,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:17,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:17,853   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:17,857   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:17,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:17,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:17,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:17,865   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:17,867   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:17,870   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:17,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:17,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:17,876   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:17,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:17,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:17,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:17,884   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:17,886   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:17,888   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:17,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:17,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:17,893   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:17,895   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:17,897   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:17,899   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:17,901   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:17,903   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:17,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:17,906   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:17,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:17,910   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:17,912   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:17,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:17,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:17,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:17,920   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:17,922   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:17,924   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:17,926   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:17,928   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:17,930   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:17,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:17,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:17,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:17,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:17,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:17,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:17,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:17,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:17,947   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:17,949   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:17,951   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:17,953   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:17,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:17,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:17,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:17,961   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:17,963   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:17,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:17,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:17,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:17,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:17,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:17,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:17,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:17,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:17,981   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:17,983   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:17,985   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:17,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:17,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:17,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:17,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:17,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:17,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:17,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:18,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:18,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:18,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:18,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:18,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:18,009   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:18,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:18,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:18,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:18,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:18,019   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:18,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:18,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:18,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:18,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:18,029   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:18,031   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:18,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:18,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:18,036   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:18,038   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:18,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:18,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:18,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:18,046   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:18,048   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:18,050   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:18,054   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:18,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:18,058   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:18,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:18,061   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:18,063   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:18,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:18,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:18,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:18,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:18,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:18,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:18,074   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:18,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:18,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:18,079   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:18,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:18,082   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:18,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:18,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:18,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:18,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:18,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:18,092   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:18,094   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:18,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:18,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:18,099   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:18,101   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:18,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:18,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:18,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:18,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:18,111   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:18,113   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:18,114   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:18,116   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:18,118   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:18,120   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:18,122   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:18,124   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:18,126   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:18,128   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:18,130   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:18,131   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:18,133   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:18,135   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:18,137   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:18,139   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:18,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:18,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:18,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:18,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:18,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:18,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:18,150   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:18,152   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:18,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:18,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:18,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:18,158   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:18,160   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:18,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:18,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:18,165   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:18,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:18,168   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:18,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:18,173   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:18,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:18,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:18,178   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:18,180   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:18,181   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:18,183   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:18,185   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:18,187   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:18,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:18,190   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:18,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:18,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:18,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:18,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:18,199   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:18,201   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:18,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:18,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:18,209   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:18,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:18,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:18,214   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:18,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:18,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:18,219   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:18,221   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:18,223   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:18,225   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:18,226   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:18,228   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:18,229   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:18,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:18,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:18,234   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:18,236   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:18,238   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:18,239   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:18,241   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:18,243   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:18,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:18,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:18,248   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:18,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:18,251   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:18,253   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:18,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:18,256   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:18,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:18,259   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:18,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:18,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:18,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:18,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:18,268   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:18,270   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:18,272   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:18,274   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:18,276   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:18,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:18,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:18,281   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:18,283   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:18,285   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:18,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:18,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:18,290   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:18,292   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:18,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:18,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:18,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:18,299   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:18,301   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:18,303   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:18,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:18,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:18,308   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:18,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:18,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:18,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:18,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:18,316   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:18,318   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:18,320   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:18,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:18,323   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:18,325   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:18,327   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:18,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:18,330   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:18,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:18,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:18,335   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:18,337   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:18,339   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:18,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:18,342   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:18,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:18,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:18,347   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:18,349   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:18,351   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:18,353   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:18,355   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:18,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:18,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:18,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:18,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:18,365   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:18,367   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:18,368   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:18,370   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:18,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:18,374   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:18,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:18,378   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:18,380   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:18,382   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:18,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:18,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:18,387   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:18,389   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:18,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:18,393   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:18,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:18,397   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:18,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:18,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:18,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:18,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:18,406   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:18,408   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:18,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:18,411   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:18,413   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:18,415   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:18,417   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:18,419   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:18,421   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:18,423   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:18,425   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:18,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:18,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:18,430   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:18,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:18,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:18,436   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:18,438   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:18,440   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:18,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:18,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:18,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:18,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:18,449   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:18,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:18,452   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:18,454   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:18,456   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:18,458   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:18,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:18,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:18,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:18,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:18,468   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:18,470   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:18,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:18,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:18,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:18,477   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:18,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:18,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:18,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:18,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:18,485   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:18,487   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:18,489   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:18,491   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:18,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:18,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:18,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:18,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:18,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:18,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:18,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:18,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:18,507   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:18,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:18,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:18,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:18,515   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:18,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:18,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:18,520   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:18,522   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:18,524   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:18,527   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:18,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:18,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:18,533   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:18,535   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:18,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:18,539   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:18,541   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:18,543   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:18,545   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:18,547   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:18,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:18,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:18,552   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:18,553   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:18,555   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:18,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:18,558   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:18,560   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:18,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:18,563   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:18,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:18,567   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:18,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:18,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:18,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:18,573   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:18,575   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:18,577   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:18,579   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:18,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:18,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:18,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:18,588   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:18,590   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:18,592   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:18,594   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:18,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:18,597   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:18,599   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:18,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:18,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:18,605   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:18,607   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:18,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:18,611   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:18,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:18,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:18,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:18,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:18,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:18,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:18,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:18,627   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:18,629   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:18,631   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:18,633   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:18,635   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:18,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:18,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:18,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:18,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:18,643   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:18,645   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:18,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:18,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:18,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:18,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:18,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:18,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:18,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:18,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:18,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:18,664   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:18,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:18,668   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:18,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:18,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:18,673   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:18,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:18,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:18,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:18,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:18,682   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:18,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:18,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:18,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:18,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:18,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:18,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:18,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:18,697   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:18,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:18,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:18,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:18,704   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:18,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:18,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:18,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:18,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:18,713   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:18,715   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:18,717   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:18,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:18,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:18,722   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:18,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:18,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:18,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:18,731   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:18,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:18,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:18,737   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:18,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:18,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:18,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:18,745   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:18,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:18,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:18,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:18,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:18,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:18,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:18,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:18,761   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:18,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:18,766   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:18,768   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:18,770   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:18,772   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:18,774   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:18,776   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:18,778   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:18,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:18,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:18,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:18,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:18,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:18,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:18,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:18,797   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:18,799   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:18,801   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:18,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:18,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:18,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:18,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:18,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:18,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:18,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:18,818   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:18,820   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:18,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:18,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:18,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:18,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:18,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:18,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:18,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:18,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:18,838   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:18,840   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:18,842   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:18,844   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:18,846   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:18,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:18,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:18,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:18,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:18,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:18,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:18,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:18,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:18,864   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:18,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:18,868   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:18,870   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:18,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:18,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:18,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:18,879   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:18,881   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:18,883   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:18,885   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:18,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:18,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:18,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:18,894   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:18,896   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:18,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:18,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:18,902   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:18,904   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:18,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:18,909   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:18,911   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:18,913   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:18,915   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:18,917   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:18,919   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:18,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:18,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:18,925   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:18,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:18,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:18,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:18,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:18,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:18,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:18,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:18,942   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:18,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:18,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:18,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:18,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:18,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:18,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:18,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:18,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:18,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:18,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:18,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:18,966   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:18,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:18,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:18,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:18,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:18,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:18,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:18,981   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:18,983   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:18,985   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:18,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:18,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:18,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:18,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:18,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:18,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:19,001   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:19,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:19,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:19,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:19,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:19,012   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:19,014   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:19,016   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:19,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:19,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:19,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:19,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:19,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:19,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:19,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:19,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:19,036   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:19,038   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:19,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:19,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:19,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:19,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:19,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:19,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:19,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:19,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:19,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:19,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:19,061   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:19,063   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:19,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:19,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:19,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:19,070   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:19,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:19,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:19,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:19,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:19,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:19,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:19,082   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:19,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:19,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:19,088   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:19,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:19,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:19,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:19,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:19,097   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:19,099   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:19,101   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:19,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:19,104   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:19,106   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:19,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:19,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:19,111   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:19,113   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:19,115   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:19,116   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:19,118   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:19,120   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:19,122   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:19,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:19,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:19,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:19,128   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:19,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:19,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:19,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:19,137   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:19,139   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:19,141   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:19,143   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:19,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:19,146   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:19,148   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:19,150   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:19,152   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:19,154   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:19,156   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:19,158   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:19,160   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:19,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:19,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:19,165   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:19,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:19,169   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:19,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:19,173   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:19,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:19,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:19,178   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:19,180   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:19,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:19,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:19,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:19,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:19,190   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:19,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:19,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:19,195   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:19,197   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:19,199   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:19,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:19,202   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:19,204   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:19,205   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:19,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:19,209   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:19,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:19,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:19,214   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:19,215   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:19,217   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:19,219   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:19,221   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:19,223   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:19,225   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:19,227   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:19,229   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:19,230   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:19,232   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:19,234   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:19,236   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:19,238   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:19,240   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:19,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:19,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:19,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:19,248   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:19,250   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:19,251   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:19,253   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:19,255   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:19,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:19,259   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:19,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:19,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:19,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:19,266   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:19,268   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:19,270   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:19,272   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:19,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:19,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:19,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:19,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:19,281   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:19,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:19,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:19,286   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:19,288   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:19,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:19,292   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:19,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:19,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:19,297   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:19,299   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:19,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:19,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:19,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:19,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:19,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:19,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:19,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:19,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:19,314   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:19,316   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:19,318   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:19,320   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:19,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:19,323   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:19,325   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:19,327   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:19,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:19,331   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:19,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:19,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:19,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:19,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:19,339   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:19,341   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:19,343   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:19,345   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:19,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:19,348   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:19,349   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:19,351   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:19,353   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:19,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:19,356   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:19,358   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:19,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:19,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:19,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:19,364   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:19,366   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:19,367   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:19,369   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:19,371   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:19,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:19,374   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:19,375   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:19,378   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:19,380   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:19,382   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:19,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:19,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:19,387   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:19,389   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:19,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:19,392   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:19,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:19,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:19,398   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:19,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:19,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:19,403   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:19,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:19,406   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:19,408   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:19,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:19,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:19,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:19,415   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:19,417   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:19,419   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:19,421   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:19,423   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:19,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:19,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:19,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:19,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:19,431   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:19,433   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:19,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:19,436   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:19,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:19,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:19,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:19,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:19,444   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:19,446   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:19,448   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:19,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:19,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:19,453   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:19,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:19,456   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:19,458   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:19,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:19,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:19,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:19,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:19,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:19,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:19,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:19,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:19,474   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:19,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:19,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:19,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:19,481   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:19,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:19,485   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:19,487   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:19,488   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:19,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:19,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:19,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:19,495   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:19,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:19,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:19,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:19,504   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:19,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:19,507   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:19,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:19,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:19,512   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:19,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:19,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:19,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:19,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:19,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:19,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:19,524   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:19,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:19,528   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:19,529   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:19,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:19,533   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:19,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:19,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:19,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:19,539   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:19,541   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:19,543   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:19,544   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:19,546   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:19,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:19,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:19,551   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:19,553   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:19,555   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:19,556   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:19,558   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:19,560   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:19,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:19,564   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:19,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:19,567   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:19,569   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:19,571   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:19,573   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:19,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:19,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:19,578   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:19,580   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:19,581   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:19,583   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:19,587   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:19,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:19,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:19,593   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:19,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:19,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:19,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:19,600   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:19,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:19,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:19,605   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:19,607   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:19,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:19,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:19,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:19,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:19,616   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:19,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:19,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:19,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:19,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:19,624   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:19,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:19,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:19,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:19,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:19,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:19,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:19,637   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:19,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:19,641   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:19,643   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:19,645   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:19,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:19,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:19,650   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:19,652   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:19,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:19,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:19,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:19,660   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:19,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:19,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:19,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:19,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:19,669   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:19,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:19,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:19,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:19,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:19,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:19,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:19,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:19,682   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:19,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:19,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:19,687   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:19,689   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:19,691   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:19,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:19,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:19,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:19,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:19,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:19,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:19,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:19,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:19,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:19,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:19,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:19,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:19,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:19,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:19,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:19,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:19,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:19,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:19,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:19,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:19,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:19,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:19,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:19,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:19,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:19,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:19,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:19,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:19,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:19,745   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:19,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:19,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:19,750   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:19,752   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:19,754   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:19,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:19,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:19,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:19,760   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:19,762   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:19,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:19,766   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:19,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:19,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:19,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:19,772   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:19,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:19,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:19,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:19,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:19,782   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:19,784   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:19,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:19,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:19,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:19,791   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:19,793   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:19,795   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:19,797   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:19,798   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:19,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:19,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:19,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:19,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:19,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:19,809   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:19,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:19,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:19,816   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:19,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:19,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:19,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:19,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:19,825   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:19,827   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:19,829   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:19,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:19,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:19,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:19,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:19,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:19,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:19,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:19,842   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:19,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:19,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:19,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:19,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:19,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:19,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:19,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:19,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:19,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:19,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:19,864   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:19,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:19,867   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:19,869   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:19,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:19,873   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:19,875   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:19,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:19,879   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:19,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:19,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:19,884   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:19,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:19,888   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:19,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:19,892   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:19,895   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:19,897   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:19,899   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:19,902   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:19,904   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:19,906   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:19,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:19,910   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:19,912   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:19,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:19,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:19,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:19,920   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:19,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:19,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:19,925   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:19,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:19,928   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:19,930   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:19,932   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:19,934   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:19,936   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:19,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:19,940   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:19,942   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:19,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:19,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:19,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:19,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:19,951   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:19,953   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:19,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:19,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:19,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:19,961   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:19,963   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:19,966   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:19,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:19,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:19,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:19,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:19,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:19,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:19,978   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:19,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:19,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:19,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:19,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:19,988   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:19,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:19,991   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:19,993   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:19,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:19,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:19,999   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:20,001   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:20,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:20,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:20,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:20,008   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:20,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:20,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:20,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:20,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:20,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:20,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:20,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:20,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:20,024   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:20,026   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:20,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:20,029   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:20,031   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:20,033   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:20,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:20,036   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:20,038   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:20,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:20,041   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:20,043   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:20,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:20,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:20,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:20,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:20,054   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:20,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:20,058   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:20,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:20,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:20,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:20,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:20,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:20,070   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:20,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:20,074   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:20,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:20,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:20,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:20,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:20,083   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:20,085   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:20,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:20,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:20,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:20,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:20,095   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:20,097   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:20,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:20,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:20,102   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:20,104   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:20,106   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:20,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:20,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:20,111   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:20,113   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:20,115   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:20,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:20,119   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:20,121   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:20,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:20,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:20,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:20,129   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:20,131   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:20,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:20,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:20,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:20,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:20,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:20,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:20,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:20,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:20,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:20,151   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:20,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:20,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:20,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:20,159   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:20,161   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:20,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:20,164   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:20,166   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:20,168   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:20,170   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:20,172   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:20,174   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:20,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:20,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:20,179   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:20,181   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:20,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:20,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:20,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:20,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:20,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:20,191   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:20,193   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:20,195   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:20,197   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:20,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:20,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:20,202   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:20,204   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:20,206   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:20,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:20,209   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:20,211   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:20,213   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:20,215   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:20,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:20,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:20,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:20,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:20,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:20,225   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:20,227   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:20,229   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:20,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:20,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:20,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:20,236   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:20,238   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:20,240   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:20,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:20,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:20,245   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:20,247   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:20,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:20,251   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:20,253   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:20,255   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:20,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:20,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:20,260   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:20,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:20,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:20,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:20,268   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:20,270   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:20,272   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:20,274   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:20,276   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:20,278   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:20,280   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:20,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:20,283   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:20,285   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:20,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:20,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:20,291   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:20,293   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:20,295   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:20,297   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:20,299   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:20,301   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:20,303   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:20,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:20,308   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:20,310   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:20,312   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:20,314   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:20,316   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:20,318   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:20,320   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:20,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:20,324   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:20,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:20,328   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:20,330   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:20,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:20,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:20,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:20,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:20,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:20,342   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:20,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:20,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:20,348   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:20,351   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:20,353   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:20,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:20,356   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:20,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:20,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:20,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:20,364   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:20,366   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:20,368   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:20,369   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:20,371   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:20,373   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:20,375   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:20,377   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:20,379   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:20,381   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:20,383   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:20,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:20,386   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:20,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:20,390   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:20,392   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:20,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:20,395   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:20,397   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:20,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:20,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:20,403   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:20,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:20,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:20,409   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:20,411   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:20,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:20,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:20,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:20,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:20,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:20,422   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:20,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:20,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:20,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:20,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:20,431   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:20,433   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:20,435   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:20,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:20,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:20,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:20,442   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:20,444   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:20,446   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:20,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:20,449   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:20,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:20,452   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:20,454   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:20,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:20,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:20,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:20,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:20,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:20,465   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:20,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:20,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:20,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:20,472   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:20,474   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:20,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:20,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:20,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:20,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:20,484   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:20,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:20,488   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:20,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:20,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:20,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:20,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:20,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:20,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:20,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:20,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:20,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:20,507   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:20,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:20,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:20,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:20,515   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:20,517   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:20,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:20,520   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:20,522   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:20,524   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:20,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:20,528   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:20,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:20,532   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:20,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:20,535   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:20,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:20,539   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:20,541   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:20,543   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:20,545   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:20,547   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:20,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:20,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:20,552   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:20,554   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:20,556   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:20,558   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:20,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:20,561   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:20,564   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:20,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:20,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:20,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:20,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:20,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:20,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:20,578   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:20,580   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:20,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:20,583   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:20,585   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:20,587   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:20,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:20,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:20,592   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:20,594   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:20,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:20,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:20,600   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:20,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:20,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:20,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:20,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:20,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:20,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:20,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:20,616   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:20,618   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:20,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:20,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:20,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:20,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:20,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:20,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:20,629   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:20,631   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:20,633   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:20,635   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:20,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:20,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:20,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:20,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:20,643   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:20,645   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:20,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:20,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:20,650   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:20,652   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:20,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:20,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:20,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:20,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:20,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:20,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:20,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:20,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:20,668   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:20,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:20,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:20,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:20,676   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:20,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:20,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:20,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:20,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:20,685   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:20,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:20,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:20,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:20,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:20,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:20,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:20,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:20,700   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:20,702   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:20,704   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:20,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:20,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:20,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:20,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:20,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:20,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:20,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:20,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:20,720   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:20,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:20,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:20,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:20,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:20,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:20,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:20,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:20,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:20,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:20,740   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:20,742   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:20,744   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:20,745   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:20,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:20,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:20,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:20,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:20,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:20,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:20,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:20,761   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:20,763   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:20,765   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:20,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:20,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:20,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:20,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:20,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:20,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:20,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:20,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:20,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:20,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:20,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:20,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:20,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:20,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:20,796   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:20,798   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:20,801   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:20,803   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:20,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:20,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:20,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:20,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:20,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:20,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:20,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:20,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:20,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:20,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:20,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:20,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:20,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:20,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:20,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:20,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:20,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:20,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:20,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:20,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:20,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:20,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:20,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:20,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:20,849   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:20,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:20,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:20,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:20,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:20,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:20,859   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:20,861   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:20,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:20,865   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:20,867   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:20,869   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:20,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:20,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:20,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:20,876   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:20,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:20,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:20,881   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:20,883   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:20,888   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:20,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:20,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:20,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:20,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:20,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:20,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:20,909   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:20,911   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:20,913   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:20,915   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:20,917   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:20,919   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:20,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:20,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:20,925   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:20,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:20,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:20,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:20,932   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:20,936   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:20,938   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:20,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:20,942   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:20,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:20,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:20,947   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:20,949   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:20,951   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:20,953   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:20,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:20,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:20,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:20,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:20,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:20,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:20,966   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:20,968   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:20,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:20,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:20,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:20,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:20,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:20,978   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:20,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:20,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:20,983   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:20,985   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:20,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:20,988   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:20,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:20,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:20,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:20,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:20,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:21,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:21,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:21,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:21,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:21,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:21,009   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:21,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:21,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:21,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:21,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:21,019   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:21,021   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:21,023   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:21,024   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:21,026   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:21,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:21,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:21,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:21,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:21,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:21,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:21,039   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:21,041   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:21,043   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:21,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:21,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:21,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:21,050   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:21,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:21,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:21,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:21,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:21,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:21,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:21,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:21,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:21,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:21,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:21,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:21,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:21,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:21,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:21,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:21,082   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:21,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:21,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:21,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:21,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:21,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:21,095   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:21,097   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:21,099   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:21,101   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:21,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:21,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:21,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:21,108   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:21,110   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:21,112   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:21,114   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:21,116   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:21,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:21,119   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:21,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:21,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:21,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:21,128   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:21,130   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:21,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:21,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:21,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:21,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:21,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:21,141   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:21,143   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:21,146   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:21,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:21,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:21,151   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:21,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:21,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:21,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:21,158   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:21,160   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:21,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:21,164   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:21,165   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:21,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:21,169   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:21,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:21,173   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:21,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:21,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:21,178   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:21,180   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:21,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:21,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:21,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:21,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:21,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:21,191   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:21,193   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:21,195   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:21,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:21,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:21,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:21,202   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:21,204   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:21,205   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:21,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:21,209   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:21,211   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:21,213   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:21,215   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:21,217   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:21,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:21,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:21,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:21,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:21,226   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:21,228   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:21,230   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:21,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:21,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:21,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:21,237   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:21,239   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:21,241   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:21,243   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:21,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:21,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:21,248   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:21,250   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:21,251   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:21,253   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:21,255   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:21,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:21,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:21,260   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:21,262   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:21,264   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:21,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:21,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:21,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:21,271   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:21,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:21,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:21,276   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:21,278   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:21,280   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:21,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:21,285   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:21,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:21,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:21,291   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:21,293   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:21,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:21,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:21,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:21,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:21,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:21,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:21,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:21,308   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:21,310   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:21,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:21,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:21,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:21,317   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:21,319   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:21,321   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:21,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:21,324   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:21,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:21,328   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:21,330   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:21,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:21,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:21,335   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:21,337   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:21,339   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:21,341   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:21,343   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:21,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:21,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:21,348   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:21,350   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:21,352   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:21,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:21,355   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:21,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:21,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:21,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:21,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:21,364   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:21,366   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:21,368   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:21,370   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:21,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:21,373   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:21,375   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:21,377   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:21,379   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:21,381   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:21,383   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:21,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:21,386   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:21,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:21,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:21,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:21,397   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:21,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:21,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:21,403   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:21,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:21,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:21,408   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:21,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:21,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:21,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:21,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:21,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:21,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:21,422   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:21,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:21,425   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:21,427   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:21,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:21,431   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:21,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:21,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:21,436   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:21,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:21,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:21,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:21,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:21,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:21,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:21,448   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:21,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:21,452   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:21,454   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:21,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:21,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:21,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:21,461   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:21,463   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:21,465   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:21,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:21,468   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:21,470   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:21,472   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:21,474   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:21,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:21,477   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:21,479   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:21,481   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:21,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:21,484   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:21,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:21,488   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:21,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:21,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:21,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:21,495   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:21,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:21,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:21,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:21,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:21,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:21,507   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:21,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:21,510   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:21,512   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:21,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:21,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:21,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:21,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:21,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:21,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:21,525   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:21,527   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:21,529   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:21,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:21,532   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:21,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:21,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:21,538   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:21,540   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:21,542   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:21,544   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:21,546   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:21,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:21,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:21,551   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:21,553   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:21,555   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:21,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:21,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:21,561   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:21,563   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:21,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:21,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:21,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:21,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:21,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:21,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:21,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:21,578   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:21,580   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:21,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:21,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:21,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:21,588   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:21,590   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:21,592   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:21,594   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:21,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:21,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:21,600   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:21,602   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:21,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:21,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:21,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:21,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:21,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:21,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:21,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:21,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:21,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:21,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:21,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:21,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:21,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:21,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:21,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:21,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:21,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:21,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:21,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:21,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:21,641   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:21,643   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:21,645   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:21,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:21,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:21,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:21,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:21,655   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:21,657   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:21,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:21,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:21,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:21,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:21,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:21,669   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:21,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:21,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:21,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:21,676   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:21,678   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:21,680   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:21,682   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:21,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:21,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:21,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:21,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:21,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:21,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:21,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:21,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:21,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:21,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:21,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:21,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:21,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:21,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:21,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:21,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:21,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:21,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:21,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:21,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:21,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:21,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:21,726   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:21,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:21,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:21,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:21,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:21,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:21,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:21,740   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:21,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:21,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:21,745   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:21,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:21,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:21,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:21,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:21,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:21,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:21,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:21,761   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:21,763   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:21,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:21,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:21,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:21,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:21,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:21,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:21,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:21,778   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:21,780   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:21,784   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:21,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:21,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:21,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:21,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:21,797   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:21,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:21,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:21,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:21,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:21,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:21,811   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:21,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:21,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:21,816   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:21,818   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:21,820   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:21,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:21,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:21,825   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:21,827   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:21,829   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:21,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:21,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:21,835   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:21,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:21,838   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:21,840   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:21,842   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:21,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:21,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:21,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:21,849   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:21,851   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:21,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:21,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:21,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:21,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:21,864   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:21,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:21,869   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:21,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:21,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:21,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:21,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:21,915   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:21,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:21,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:21,924   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:21,926   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:21,928   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:21,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:21,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:21,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:21,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:21,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:21,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:21,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:21,945   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:21,947   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:21,949   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:21,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:21,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:21,953   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:21,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:21,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:21,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:21,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:21,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:21,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:21,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:21,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:21,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:21,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:21,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:21,974   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:21,976   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:21,978   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:21,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:21,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:21,983   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:21,985   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:21,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:21,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:21,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:21,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:21,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:21,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:21,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:21,999   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:22,001   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:22,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:22,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:22,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:22,009   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:22,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:22,012   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:22,014   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:22,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:22,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:22,019   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:22,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:22,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:22,024   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:22,026   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:22,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:22,029   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:22,031   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:22,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:22,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:22,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:22,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:22,039   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:22,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:22,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:22,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:22,046   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:22,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:22,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:22,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:22,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:22,054   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:22,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:22,058   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:22,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:22,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:22,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:22,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:22,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:22,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:22,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:22,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:22,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:22,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:22,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:22,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:22,082   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:22,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:22,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:22,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:22,090   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:22,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:22,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:22,095   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:22,097   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:22,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:22,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:22,101   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:22,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:22,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:22,106   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:22,108   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:22,110   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:22,111   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:22,113   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:22,115   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:22,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:22,118   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:22,120   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:22,122   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:22,124   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:22,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:22,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:22,129   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:22,131   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:22,133   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:22,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:22,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:22,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:22,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:22,141   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:22,143   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:22,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:22,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:22,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:22,151   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:22,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:22,154   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:22,156   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:22,158   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:22,160   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:22,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:22,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:22,165   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:22,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:22,169   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:22,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:22,172   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:22,174   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:22,176   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:22,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:22,179   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:22,181   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:22,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:22,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:22,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:22,187   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:22,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:22,191   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:22,193   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:22,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:22,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:22,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:22,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:22,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:22,205   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:22,206   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:22,208   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:22,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:22,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:22,214   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:22,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:22,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:22,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:22,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:22,223   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:22,225   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:22,227   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:22,229   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:22,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:22,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:22,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:22,237   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:22,239   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:22,241   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:22,243   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:22,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:22,247   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:22,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:22,252   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:22,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:22,256   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:22,259   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:22,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:22,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:22,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:22,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:22,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:22,271   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:22,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:22,276   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:22,278   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:22,280   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:22,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:22,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:22,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:22,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:22,291   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:22,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:22,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:22,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:22,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:22,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:22,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:22,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:22,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:22,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:22,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:22,316   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:22,318   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:22,320   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:22,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:22,324   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:22,325   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:22,327   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:22,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:22,331   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:22,333   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:22,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:22,379   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:22,382   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:22,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:22,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:22,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:22,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:22,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:22,398   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:22,400   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:22,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:22,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:22,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:22,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:22,409   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:22,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:22,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:22,413   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:22,415   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:22,417   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:22,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:22,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:22,421   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:22,423   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:22,425   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:22,427   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:22,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:22,430   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:22,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:22,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:22,435   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:22,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:22,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:22,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:22,442   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:22,444   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:22,446   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:22,448   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:22,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:22,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:22,453   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:22,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:22,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:22,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:22,461   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:22,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:22,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:22,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:22,468   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:22,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:22,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:22,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:22,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:22,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:22,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:22,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:22,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:22,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:22,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:22,487   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:22,489   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:22,491   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:22,493   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:22,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:22,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:22,498   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:22,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:22,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:22,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:22,504   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:22,506   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:22,508   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:22,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:22,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:22,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:22,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:22,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:22,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:22,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:22,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:22,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:22,525   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:22,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:22,529   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:22,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:22,532   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:22,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:22,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:22,538   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:22,540   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:22,542   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:22,544   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:22,546   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:22,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:22,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:22,552   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:22,554   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:22,556   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:22,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:22,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:22,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:22,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:22,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:22,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:22,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:22,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:22,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:22,575   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:22,577   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:22,579   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:22,580   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:22,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:22,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:22,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:22,587   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:22,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:22,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:22,592   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:22,594   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:22,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:22,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:22,599   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:22,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:22,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:22,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:22,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:22,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:22,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:22,611   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:22,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:22,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:22,616   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:22,618   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:22,620   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:22,622   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:22,624   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:22,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:22,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:22,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:22,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:22,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:22,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:22,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:22,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:22,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:22,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:22,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:22,648   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:22,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:22,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:22,655   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:22,657   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:22,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:22,660   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:22,662   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:22,664   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:22,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:22,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:22,669   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:22,671   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:22,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:22,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:22,676   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:22,678   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:22,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:22,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:22,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:22,685   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:22,687   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:22,689   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:22,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:22,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:22,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:22,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:22,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:22,700   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:22,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:22,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:22,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:22,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:22,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:22,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:22,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:22,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:22,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:22,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:22,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:22,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:22,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:22,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:22,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:22,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:22,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:22,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:22,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:22,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:22,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:22,963   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:22,966   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:22,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:22,972   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:22,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:22,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:22,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:22,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:22,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:22,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:22,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:22,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:22,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:22,991   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:22,993   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:22,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:22,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:22,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:23,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:23,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:23,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:23,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:23,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:23,009   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:23,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:23,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:23,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:23,017   adding 'xcbm/Input_Scripts/calc_GMTKN55.py'
2025-08-31T09:30:23,018   adding 'xcbm/Input_Scripts/calc_MGCDB84.py'
2025-08-31T09:30:23,071   adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv'
2025-08-31T09:30:23,079   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz'
2025-08-31T09:30:23,080   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz'
2025-08-31T09:30:23,081   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz'
2025-08-31T09:30:23,082   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz'
2025-08-31T09:30:23,083   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz'
2025-08-31T09:30:23,084   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz'
2025-08-31T09:30:23,085   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz'
2025-08-31T09:30:23,087   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz'
2025-08-31T09:30:23,096   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz'
2025-08-31T09:30:23,097   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz'
2025-08-31T09:30:23,098   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz'
2025-08-31T09:30:23,100   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz'
2025-08-31T09:30:23,101   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz'
2025-08-31T09:30:23,103   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz'
2025-08-31T09:30:23,104   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz'
2025-08-31T09:30:23,105   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz'
2025-08-31T09:30:23,106   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz'
2025-08-31T09:30:23,107   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz'
2025-08-31T09:30:23,109   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz'
2025-08-31T09:30:23,110   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz'
2025-08-31T09:30:23,111   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz'
2025-08-31T09:30:23,112   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz'
2025-08-31T09:30:23,114   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz'
2025-08-31T09:30:23,115   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz'
2025-08-31T09:30:23,116   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz'
2025-08-31T09:30:23,117   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz'
2025-08-31T09:30:23,118   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:23,120   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:23,121   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:23,122   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,123   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,124   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,125   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:23,126   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:23,127   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:23,129   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,130   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,131   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,132   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:23,133   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:23,135   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:23,136   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,137   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,138   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,139   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:23,141   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:23,145   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:23,146   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,147   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,149   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,150   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:23,151   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:23,152   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:23,154   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,155   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,157   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,375   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:23,377   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:23,379   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:23,381   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,384   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,387   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,390   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:23,392   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:23,395   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:23,397   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,398   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,400   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,402   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:23,403   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:23,405   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:23,406   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,408   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,409   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,411   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:23,412   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:23,414   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:23,415   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,417   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,418   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,420   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:23,421   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:23,423   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:23,424   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,426   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:23,427   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:23,428   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:23,430   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:23,432   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:23,433   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,435   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:23,436   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:23,438   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:23,439   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:23,441   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:23,443   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,444   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:23,446   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:23,447   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,449   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,450   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,452   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,453   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,455   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,457   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,458   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,460   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,461   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,463   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,464   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,466   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,468   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,469   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,470   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,472   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,473   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,475   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,477   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,478   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,479   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,481   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,482   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,484   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,486   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,487   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,489   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,490   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,492   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,493   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,495   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,496   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,498   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,499   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,501   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,502   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:23,504   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:23,506   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:23,507   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:23,509   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:23,510   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:23,512   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:23,513   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:23,515   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:23,516   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:23,518   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:23,519   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:23,521   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:23,523   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:23,524   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:23,526   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:23,527   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:23,529   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:23,530   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,532   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,533   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,535   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,536   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,538   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,540   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,541   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,543   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,544   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,546   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,547   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,549   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,550   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,552   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,553   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,555   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,556   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,558   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,560   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,561   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,563   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:23,564   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:23,566   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:23,567   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,569   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,570   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,572   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:23,573   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:23,575   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:23,576   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,578   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,580   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,581   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:23,582   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:23,584   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:23,585   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,587   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,588   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,590   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:23,591   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:23,593   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:23,594   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,596   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,597   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,599   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:23,600   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:23,602   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:23,603   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,605   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,606   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,608   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:23,610   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:23,611   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:23,613   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,614   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,616   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,617   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:23,619   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:23,620   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:23,622   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,623   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,625   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,626   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:23,628   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:23,629   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:23,631   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:23,632   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:23,634   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:23,635   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:23,637   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:23,638   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:23,640   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,641   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,643   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,644   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:30:23,646   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:30:23,647   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:30:23,649   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,650   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,652   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,653   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:30:23,655   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:30:23,656   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:30:23,658   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,659   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,660   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,662   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:30:23,663   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:30:23,665   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:30:23,666   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,668   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,669   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,671   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,672   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,674   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,675   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,677   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,679   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,680   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,682   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,683   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,684   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:23,686   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:23,687   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:23,688   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:23,689   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:23,690   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:23,692   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,693   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,694   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,695   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:23,696   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:23,698   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:23,699   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,700   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,702   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,703   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:23,704   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:23,706   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:23,707   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:23,708   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:23,710   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:23,711   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:23,712   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:23,714   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:23,715   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:23,716   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:23,718   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:23,719   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:23,720   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:23,721   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:23,722   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:23,724   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:23,725   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:23,726   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:23,727   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:23,728   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:23,729   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:23,731   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:23,732   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:23,733   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:23,734   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:23,736   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:23,737   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,738   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,739   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,741   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:23,742   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:23,743   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:23,744   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,745   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,747   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,748   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:23,749   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:23,750   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:23,752   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,753   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,754   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,755   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:23,757   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:23,758   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:23,759   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:23,760   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:23,762   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:23,763   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:23,764   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:23,766   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:23,767   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:23,768   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:23,770   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:23,771   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:23,772   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:23,774   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:23,775   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:23,776   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:23,778   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:23,779   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:23,780   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:23,782   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:23,783   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:23,784   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:23,786   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:23,787   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:30:23,789   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:30:23,790   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:30:23,791   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:23,793   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:23,794   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:23,795   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:30:23,797   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:30:23,798   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:30:23,799   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:23,801   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:23,802   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:23,803   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:30:23,805   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:30:23,806   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:30:23,807   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,809   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,810   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,811   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,813   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,814   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,816   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,817   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,818   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,819   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,821   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,822   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,823   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:23,824   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:23,826   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:23,827   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:23,828   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:23,829   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:23,830   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,832   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,833   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,834   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:23,835   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:23,836   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:23,838   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,839   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,840   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,841   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:23,843   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:23,844   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:23,845   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:23,846   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:23,848   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:23,849   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:23,850   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:23,851   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:23,853   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:23,854   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:23,855   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:23,856   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:30:23,858   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:30:23,859   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:30:23,860   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:23,862   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:23,863   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:23,864   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:30:23,865   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:30:23,867   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:30:23,868   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:23,869   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:23,870   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:23,872   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:30:23,873   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:30:23,874   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:30:23,875   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:23,877   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:23,878   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:23,879   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:23,881   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:23,882   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:23,883   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:23,884   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:23,886   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:23,887   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:23,888   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:23,889   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:23,891   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:23,892   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:23,893   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:23,895   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:23,896   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:23,898   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:23,905   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz'
2025-08-31T09:30:23,906   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz'
2025-08-31T09:30:23,907   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz'
2025-08-31T09:30:23,909   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz'
2025-08-31T09:30:23,911   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz'
2025-08-31T09:30:23,912   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz'
2025-08-31T09:30:23,914   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz'
2025-08-31T09:30:23,915   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz'
2025-08-31T09:30:23,916   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz'
2025-08-31T09:30:23,917   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz'
2025-08-31T09:30:23,918   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz'
2025-08-31T09:30:23,919   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz'
2025-08-31T09:30:23,921   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,922   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,923   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,924   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:23,926   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,927   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,928   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,929   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:23,930   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:23,932   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:23,933   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:23,934   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:23,935   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,937   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,938   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,939   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:23,940   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,942   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,943   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,944   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:23,946   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:23,947   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:23,948   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:23,949   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:23,951   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,952   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,954   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,955   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:23,956   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,957   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,959   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,960   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:23,961   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:23,962   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:23,964   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:23,965   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:23,966   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,967   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:23,969   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:23,970   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:23,972   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,973   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:23,975   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:23,977   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:23,980   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:23,981   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:24,015   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:24,017   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:24,020   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,022   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,025   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,027   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,029   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,030   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,032   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,034   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,036   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,038   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,039   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,041   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,043   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,045   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,047   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,048   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,049   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,051   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,052   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,053   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,055   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,056   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,058   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,059   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,060   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:24,061   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:24,062   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:24,064   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:24,065   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:24,066   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:24,067   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:24,069   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:24,070   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:24,071   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:24,072   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:24,073   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:24,075   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,076   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,077   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,078   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,080   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,081   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,083   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,085   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,087   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,088   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,090   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,092   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,093   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:24,094   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:24,096   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:24,098   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:24,099   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:24,101   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:24,102   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:24,104   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:24,106   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:24,108   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:24,109   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:24,111   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:24,112   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:24,114   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:24,115   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:24,117   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:24,118   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:24,120   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:24,121   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:24,123   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:24,124   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:24,126   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:24,128   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:24,129   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:24,131   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:24,132   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:24,134   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:24,135   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:24,137   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:24,138   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:24,140   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:24,142   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:24,143   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:24,145   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:24,147   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:24,149   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:24,150   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:30:24,152   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:30:24,154   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:30:24,155   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz'
2025-08-31T09:30:24,157   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:30:24,159   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:30:24,160   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:30:24,162   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz'
2025-08-31T09:30:24,164   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:30:24,165   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:30:24,167   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:30:24,169   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz'
2025-08-31T09:30:24,171   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,172   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,174   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,176   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,177   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,179   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,181   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,182   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,184   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:24,186   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:24,187   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:24,189   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:24,191   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:24,192   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:24,194   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:24,196   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:24,197   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:24,199   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:24,200   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:24,202   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:24,204   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:24,206   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:24,207   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:24,209   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:24,211   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:24,212   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:24,214   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:24,215   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:24,217   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:24,219   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:24,220   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:24,222   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:24,224   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:24,226   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:24,227   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:24,229   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:24,231   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:24,233   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:24,234   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:24,235   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:24,237   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:24,238   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:24,239   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:24,240   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:24,242   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:24,243   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:24,244   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:24,246   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:24,247   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:24,249   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:24,251   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:24,253   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:24,254   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:24,255   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:24,257   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:24,258   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:24,259   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:24,261   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:24,262   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:24,264   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:24,265   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:30:24,266   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:30:24,268   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:30:24,269   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz'
2025-08-31T09:30:24,271   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:30:24,272   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:30:24,273   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:30:24,274   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz'
2025-08-31T09:30:24,276   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:30:24,277   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:30:24,278   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:30:24,279   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz'
2025-08-31T09:30:24,281   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,282   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,283   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,285   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,286   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,287   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,288   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,289   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,290   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:24,292   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:24,293   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:24,294   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:24,295   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:24,297   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:24,298   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:24,299   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:24,300   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:24,302   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:24,303   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:24,304   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:24,305   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:24,307   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:24,308   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:24,309   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:24,310   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:30:24,312   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:30:24,313   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:30:24,315   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz'
2025-08-31T09:30:24,316   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:30:24,317   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:30:24,318   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:30:24,320   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz'
2025-08-31T09:30:24,321   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:30:24,322   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:30:24,324   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:30:24,325   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz'
2025-08-31T09:30:24,327   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:24,328   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:24,330   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:24,332   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:24,333   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:24,334   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:24,335   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:24,337   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:24,338   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:24,339   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:24,340   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:24,342   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:24,350   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,351   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,352   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,353   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,355   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,356   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,357   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,359   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,360   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,361   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,362   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,364   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,365   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,366   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,367   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,369   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,370   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,371   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,372   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,374   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,375   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,376   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,377   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,379   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,380   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,381   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,382   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,384   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,385   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,386   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,387   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,389   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,390   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,391   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,392   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,393   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,394   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,395   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,397   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,398   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,399   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,400   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,402   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,403   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,404   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,405   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,406   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,408   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,409   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,410   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,412   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,413   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,414   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,415   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,417   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,418   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,419   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,420   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,422   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,423   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,424   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,425   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,426   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,427   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,429   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,430   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,431   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,432   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,433   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,435   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,436   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,437   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,438   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,439   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,440   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,442   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,443   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,444   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,445   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,447   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,448   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,449   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,450   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,451   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,453   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,454   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,455   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,456   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,458   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,459   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,460   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,461   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,462   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,463   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,465   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,466   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,467   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,469   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,470   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,471   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,472   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,474   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,475   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,476   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,477   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,479   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,480   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,481   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,482   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,483   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,485   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,486   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,487   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,489   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,490   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,491   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,492   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,494   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,495   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,496   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,498   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,499   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,500   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,501   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,503   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,504   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,506   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,507   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,509   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,511   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,514   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,516   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,518   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,521   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,524   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,526   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,529   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,532   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,745   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,747   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,749   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,752   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,754   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,756   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,758   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,760   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,762   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,765   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,767   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,768   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,769   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,771   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,772   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,773   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,774   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,775   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,776   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,777   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,779   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,780   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,781   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,782   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,783   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,784   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,785   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,787   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,788   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,789   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,790   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,791   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,793   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,794   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,795   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,796   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,798   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,799   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,800   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,801   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,803   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,804   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,805   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,806   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,807   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,808   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,809   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,810   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,812   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,813   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,814   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,815   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,816   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,817   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,819   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,820   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,821   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,822   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,823   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,825   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,826   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,827   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,828   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,829   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,831   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,832   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,833   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,834   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,835   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,837   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,838   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,839   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,840   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,842   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,843   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,844   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,845   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,846   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,848   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,849   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,850   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,851   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,852   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,853   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,854   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,856   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,857   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,858   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,859   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,860   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,862   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,863   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,864   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,865   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,866   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,868   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,869   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,870   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,871   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,872   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,873   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,875   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,876   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,877   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,878   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,880   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,881   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,882   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,883   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,885   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,886   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,887   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,888   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,890   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,891   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,892   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,893   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,894   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,895   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,897   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,898   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,899   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,900   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,901   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,902   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,904   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,905   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,906   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,907   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,908   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,909   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,910   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,912   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,913   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,914   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,915   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,916   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,917   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,919   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,920   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,921   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,922   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,923   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:30:24,925   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:30:24,926   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:30:24,927   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:30:24,928   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:30:24,929   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:30:24,931   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:30:24,932   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:30:24,933   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:30:24,934   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:30:24,936   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:30:24,937   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:30:24,938   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:30:24,939   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:30:24,942   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz'
2025-08-31T09:30:24,943   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz'
2025-08-31T09:30:24,944   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz'
2025-08-31T09:30:24,947   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz'
2025-08-31T09:30:24,948   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz'
2025-08-31T09:30:24,949   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz'
2025-08-31T09:30:24,951   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz'
2025-08-31T09:30:24,952   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz'
2025-08-31T09:30:24,953   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz'
2025-08-31T09:30:24,954   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz'
2025-08-31T09:30:24,956   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz'
2025-08-31T09:30:24,957   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz'
2025-08-31T09:30:24,958   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz'
2025-08-31T09:30:24,959   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz'
2025-08-31T09:30:24,961   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz'
2025-08-31T09:30:24,962   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz'
2025-08-31T09:30:24,963   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz'
2025-08-31T09:30:24,964   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz'
2025-08-31T09:30:24,969   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz'
2025-08-31T09:30:24,971   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz'
2025-08-31T09:30:24,972   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz'
2025-08-31T09:30:24,973   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz'
2025-08-31T09:30:24,974   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz'
2025-08-31T09:30:24,976   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz'
2025-08-31T09:30:24,977   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz'
2025-08-31T09:30:24,978   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz'
2025-08-31T09:30:24,979   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz'
2025-08-31T09:30:24,981   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz'
2025-08-31T09:30:24,982   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz'
2025-08-31T09:30:24,983   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz'
2025-08-31T09:30:24,985   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz'
2025-08-31T09:30:24,986   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz'
2025-08-31T09:30:24,987   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz'
2025-08-31T09:30:24,989   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz'
2025-08-31T09:30:24,990   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz'
2025-08-31T09:30:24,991   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz'
2025-08-31T09:30:24,992   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz'
2025-08-31T09:30:24,994   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz'
2025-08-31T09:30:24,995   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz'
2025-08-31T09:30:24,996   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz'
2025-08-31T09:30:24,997   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz'
2025-08-31T09:30:24,998   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz'
2025-08-31T09:30:24,999   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz'
2025-08-31T09:30:25,001   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz'
2025-08-31T09:30:25,002   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz'
2025-08-31T09:30:25,003   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz'
2025-08-31T09:30:25,004   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz'
2025-08-31T09:30:25,005   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz'
2025-08-31T09:30:25,007   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz'
2025-08-31T09:30:25,008   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz'
2025-08-31T09:30:25,009   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz'
2025-08-31T09:30:25,010   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz'
2025-08-31T09:30:25,011   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz'
2025-08-31T09:30:25,013   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz'
2025-08-31T09:30:25,014   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz'
2025-08-31T09:30:25,015   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz'
2025-08-31T09:30:25,016   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz'
2025-08-31T09:30:25,017   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz'
2025-08-31T09:30:25,019   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz'
2025-08-31T09:30:25,020   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz'
2025-08-31T09:30:25,021   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz'
2025-08-31T09:30:25,022   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz'
2025-08-31T09:30:25,023   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz'
2025-08-31T09:30:25,025   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz'
2025-08-31T09:30:25,026   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz'
2025-08-31T09:30:25,027   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz'
2025-08-31T09:30:25,028   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz'
2025-08-31T09:30:25,029   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz'
2025-08-31T09:30:25,030   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz'
2025-08-31T09:30:25,032   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz'
2025-08-31T09:30:25,033   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz'
2025-08-31T09:30:25,034   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz'
2025-08-31T09:30:25,036   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz'
2025-08-31T09:30:25,037   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz'
2025-08-31T09:30:25,039   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz'
2025-08-31T09:30:25,040   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz'
2025-08-31T09:30:25,041   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz'
2025-08-31T09:30:25,042   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz'
2025-08-31T09:30:25,043   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz'
2025-08-31T09:30:25,044   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz'
2025-08-31T09:30:25,046   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz'
2025-08-31T09:30:25,047   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz'
2025-08-31T09:30:25,048   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz'
2025-08-31T09:30:25,049   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz'
2025-08-31T09:30:25,050   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz'
2025-08-31T09:30:25,052   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz'
2025-08-31T09:30:25,053   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz'
2025-08-31T09:30:25,054   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz'
2025-08-31T09:30:25,055   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz'
2025-08-31T09:30:25,056   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz'
2025-08-31T09:30:25,058   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz'
2025-08-31T09:30:25,059   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz'
2025-08-31T09:30:25,060   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz'
2025-08-31T09:30:25,062   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz'
2025-08-31T09:30:25,063   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz'
2025-08-31T09:30:25,064   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz'
2025-08-31T09:30:25,065   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz'
2025-08-31T09:30:25,066   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz'
2025-08-31T09:30:25,067   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz'
2025-08-31T09:30:25,069   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz'
2025-08-31T09:30:25,070   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz'
2025-08-31T09:30:25,071   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz'
2025-08-31T09:30:25,072   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz'
2025-08-31T09:30:25,074   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz'
2025-08-31T09:30:25,075   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz'
2025-08-31T09:30:25,076   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz'
2025-08-31T09:30:25,077   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz'
2025-08-31T09:30:25,078   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz'
2025-08-31T09:30:25,080   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz'
2025-08-31T09:30:25,081   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz'
2025-08-31T09:30:25,083   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz'
2025-08-31T09:30:25,084   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz'
2025-08-31T09:30:25,085   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz'
2025-08-31T09:30:25,086   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz'
2025-08-31T09:30:25,087   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz'
2025-08-31T09:30:25,089   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz'
2025-08-31T09:30:25,090   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz'
2025-08-31T09:30:25,091   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz'
2025-08-31T09:30:25,092   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz'
2025-08-31T09:30:25,094   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz'
2025-08-31T09:30:25,095   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz'
2025-08-31T09:30:25,096   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz'
2025-08-31T09:30:25,097   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz'
2025-08-31T09:30:25,099   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz'
2025-08-31T09:30:25,100   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz'
2025-08-31T09:30:25,101   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz'
2025-08-31T09:30:25,102   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz'
2025-08-31T09:30:25,103   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz'
2025-08-31T09:30:25,105   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz'
2025-08-31T09:30:25,107   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,108   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,110   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,111   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,112   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,113   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,115   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,116   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,117   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,118   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,120   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,121   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,122   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,123   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,125   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,126   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,127   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,128   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,129   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,131   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,132   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,133   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz'
2025-08-31T09:30:25,135   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz'
2025-08-31T09:30:25,136   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz'
2025-08-31T09:30:25,137   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz'
2025-08-31T09:30:25,138   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz'
2025-08-31T09:30:25,140   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz'
2025-08-31T09:30:25,141   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz'
2025-08-31T09:30:25,142   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz'
2025-08-31T09:30:25,144   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz'
2025-08-31T09:30:25,145   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz'
2025-08-31T09:30:25,146   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz'
2025-08-31T09:30:25,147   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz'
2025-08-31T09:30:25,148   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz'
2025-08-31T09:30:25,149   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz'
2025-08-31T09:30:25,150   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz'
2025-08-31T09:30:25,152   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz'
2025-08-31T09:30:25,153   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz'
2025-08-31T09:30:25,155   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz'
2025-08-31T09:30:25,156   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz'
2025-08-31T09:30:25,157   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz'
2025-08-31T09:30:25,158   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz'
2025-08-31T09:30:25,159   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz'
2025-08-31T09:30:25,161   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz'
2025-08-31T09:30:25,162   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz'
2025-08-31T09:30:25,163   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz'
2025-08-31T09:30:25,164   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz'
2025-08-31T09:30:25,166   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz'
2025-08-31T09:30:25,167   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz'
2025-08-31T09:30:25,168   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz'
2025-08-31T09:30:25,169   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz'
2025-08-31T09:30:25,171   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz'
2025-08-31T09:30:25,173   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz'
2025-08-31T09:30:25,174   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz'
2025-08-31T09:30:25,175   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz'
2025-08-31T09:30:25,176   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz'
2025-08-31T09:30:25,178   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz'
2025-08-31T09:30:25,179   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz'
2025-08-31T09:30:25,180   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz'
2025-08-31T09:30:25,181   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz'
2025-08-31T09:30:25,183   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz'
2025-08-31T09:30:25,184   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz'
2025-08-31T09:30:25,185   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz'
2025-08-31T09:30:25,187   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz'
2025-08-31T09:30:25,188   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz'
2025-08-31T09:30:25,189   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz'
2025-08-31T09:30:25,190   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz'
2025-08-31T09:30:25,192   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz'
2025-08-31T09:30:25,195   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:30:25,196   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz'
2025-08-31T09:30:25,197   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz'
2025-08-31T09:30:25,198   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz'
2025-08-31T09:30:25,199   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz'
2025-08-31T09:30:25,201   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz'
2025-08-31T09:30:25,202   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz'
2025-08-31T09:30:25,203   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz'
2025-08-31T09:30:25,204   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz'
2025-08-31T09:30:25,205   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz'
2025-08-31T09:30:25,206   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz'
2025-08-31T09:30:25,207   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz'
2025-08-31T09:30:25,208   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz'
2025-08-31T09:30:25,210   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz'
2025-08-31T09:30:25,211   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz'
2025-08-31T09:30:25,212   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz'
2025-08-31T09:30:25,213   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz'
2025-08-31T09:30:25,214   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz'
2025-08-31T09:30:25,215   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz'
2025-08-31T09:30:25,216   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz'
2025-08-31T09:30:25,218   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz'
2025-08-31T09:30:25,219   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz'
2025-08-31T09:30:25,220   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz'
2025-08-31T09:30:25,221   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz'
2025-08-31T09:30:25,222   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz'
2025-08-31T09:30:25,224   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz'
2025-08-31T09:30:25,225   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz'
2025-08-31T09:30:25,226   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz'
2025-08-31T09:30:25,227   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz'
2025-08-31T09:30:25,228   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz'
2025-08-31T09:30:25,229   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz'
2025-08-31T09:30:25,231   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz'
2025-08-31T09:30:25,232   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz'
2025-08-31T09:30:25,233   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz'
2025-08-31T09:30:25,234   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz'
2025-08-31T09:30:25,235   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz'
2025-08-31T09:30:25,236   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz'
2025-08-31T09:30:25,237   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz'
2025-08-31T09:30:25,239   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz'
2025-08-31T09:30:25,240   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz'
2025-08-31T09:30:25,241   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz'
2025-08-31T09:30:25,242   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz'
2025-08-31T09:30:25,243   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz'
2025-08-31T09:30:25,245   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz'
2025-08-31T09:30:25,246   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz'
2025-08-31T09:30:25,247   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz'
2025-08-31T09:30:25,248   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz'
2025-08-31T09:30:25,249   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz'
2025-08-31T09:30:25,250   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz'
2025-08-31T09:30:25,251   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz'
2025-08-31T09:30:25,252   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz'
2025-08-31T09:30:25,254   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz'
2025-08-31T09:30:25,255   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz'
2025-08-31T09:30:25,256   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz'
2025-08-31T09:30:25,257   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz'
2025-08-31T09:30:25,258   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz'
2025-08-31T09:30:25,259   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz'
2025-08-31T09:30:25,260   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz'
2025-08-31T09:30:25,262   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz'
2025-08-31T09:30:25,263   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz'
2025-08-31T09:30:25,264   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz'
2025-08-31T09:30:25,265   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz'
2025-08-31T09:30:25,266   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz'
2025-08-31T09:30:25,267   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz'
2025-08-31T09:30:25,268   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz'
2025-08-31T09:30:25,270   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz'
2025-08-31T09:30:25,271   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz'
2025-08-31T09:30:25,272   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz'
2025-08-31T09:30:25,273   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz'
2025-08-31T09:30:25,275   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz'
2025-08-31T09:30:25,276   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz'
2025-08-31T09:30:25,277   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz'
2025-08-31T09:30:25,278   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz'
2025-08-31T09:30:25,279   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz'
2025-08-31T09:30:25,280   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz'
2025-08-31T09:30:25,281   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz'
2025-08-31T09:30:25,282   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz'
2025-08-31T09:30:25,284   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz'
2025-08-31T09:30:25,285   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz'
2025-08-31T09:30:25,286   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz'
2025-08-31T09:30:25,287   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz'
2025-08-31T09:30:25,288   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz'
2025-08-31T09:30:25,290   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz'
2025-08-31T09:30:25,291   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz'
2025-08-31T09:30:25,292   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz'
2025-08-31T09:30:25,293   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz'
2025-08-31T09:30:25,294   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz'
2025-08-31T09:30:25,296   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz'
2025-08-31T09:30:25,297   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz'
2025-08-31T09:30:25,298   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz'
2025-08-31T09:30:25,299   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz'
2025-08-31T09:30:25,300   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz'
2025-08-31T09:30:25,301   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz'
2025-08-31T09:30:25,302   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz'
2025-08-31T09:30:25,303   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz'
2025-08-31T09:30:25,305   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz'
2025-08-31T09:30:25,306   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz'
2025-08-31T09:30:25,308   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz'
2025-08-31T09:30:25,309   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz'
2025-08-31T09:30:25,310   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz'
2025-08-31T09:30:25,312   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz'
2025-08-31T09:30:25,313   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz'
2025-08-31T09:30:25,314   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz'
2025-08-31T09:30:25,315   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz'
2025-08-31T09:30:25,316   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz'
2025-08-31T09:30:25,317   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:30:25,318   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz'
2025-08-31T09:30:25,320   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz'
2025-08-31T09:30:25,321   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz'
2025-08-31T09:30:25,322   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz'
2025-08-31T09:30:25,323   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz'
2025-08-31T09:30:25,324   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz'
2025-08-31T09:30:25,325   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz'
2025-08-31T09:30:25,326   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz'
2025-08-31T09:30:25,328   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz'
2025-08-31T09:30:25,329   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:30:25,330   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:30:25,331   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz'
2025-08-31T09:30:25,332   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz'
2025-08-31T09:30:25,333   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz'
2025-08-31T09:30:25,335   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz'
2025-08-31T09:30:25,336   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz'
2025-08-31T09:30:25,337   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz'
2025-08-31T09:30:25,338   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz'
2025-08-31T09:30:25,339   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz'
2025-08-31T09:30:25,340   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz'
2025-08-31T09:30:25,342   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz'
2025-08-31T09:30:25,343   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz'
2025-08-31T09:30:25,344   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz'
2025-08-31T09:30:25,345   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz'
2025-08-31T09:30:25,346   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz'
2025-08-31T09:30:25,348   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz'
2025-08-31T09:30:25,349   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz'
2025-08-31T09:30:25,350   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz'
2025-08-31T09:30:25,351   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz'
2025-08-31T09:30:25,352   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz'
2025-08-31T09:30:25,353   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz'
2025-08-31T09:30:25,355   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz'
2025-08-31T09:30:25,356   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz'
2025-08-31T09:30:25,357   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz'
2025-08-31T09:30:25,358   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz'
2025-08-31T09:30:25,359   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz'
2025-08-31T09:30:25,360   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz'
2025-08-31T09:30:25,361   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz'
2025-08-31T09:30:25,362   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz'
2025-08-31T09:30:25,365   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz'
2025-08-31T09:30:25,366   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz'
2025-08-31T09:30:25,367   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz'
2025-08-31T09:30:25,368   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz'
2025-08-31T09:30:25,370   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz'
2025-08-31T09:30:25,371   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz'
2025-08-31T09:30:25,372   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz'
2025-08-31T09:30:25,373   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz'
2025-08-31T09:30:25,374   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz'
2025-08-31T09:30:25,375   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz'
2025-08-31T09:30:25,377   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz'
2025-08-31T09:30:25,378   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz'
2025-08-31T09:30:25,379   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz'
2025-08-31T09:30:25,380   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz'
2025-08-31T09:30:25,381   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz'
2025-08-31T09:30:25,383   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz'
2025-08-31T09:30:25,384   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz'
2025-08-31T09:30:25,385   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz'
2025-08-31T09:30:25,386   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz'
2025-08-31T09:30:25,387   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz'
2025-08-31T09:30:25,389   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz'
2025-08-31T09:30:25,390   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz'
2025-08-31T09:30:25,391   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz'
2025-08-31T09:30:25,392   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz'
2025-08-31T09:30:25,394   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz'
2025-08-31T09:30:25,395   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz'
2025-08-31T09:30:25,396   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz'
2025-08-31T09:30:25,397   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz'
2025-08-31T09:30:25,398   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz'
2025-08-31T09:30:25,400   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz'
2025-08-31T09:30:25,401   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz'
2025-08-31T09:30:25,402   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz'
2025-08-31T09:30:25,403   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz'
2025-08-31T09:30:25,405   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz'
2025-08-31T09:30:25,406   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz'
2025-08-31T09:30:25,407   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz'
2025-08-31T09:30:25,408   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz'
2025-08-31T09:30:25,409   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz'
2025-08-31T09:30:25,410   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz'
2025-08-31T09:30:25,412   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz'
2025-08-31T09:30:25,413   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz'
2025-08-31T09:30:25,414   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz'
2025-08-31T09:30:25,415   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz'
2025-08-31T09:30:25,416   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz'
2025-08-31T09:30:25,418   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz'
2025-08-31T09:30:25,419   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz'
2025-08-31T09:30:25,420   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz'
2025-08-31T09:30:25,421   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz'
2025-08-31T09:30:25,422   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz'
2025-08-31T09:30:25,424   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz'
2025-08-31T09:30:25,425   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz'
2025-08-31T09:30:25,426   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz'
2025-08-31T09:30:25,428   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz'
2025-08-31T09:30:25,430   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz'
2025-08-31T09:30:25,431   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz'
2025-08-31T09:30:25,432   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz'
2025-08-31T09:30:25,433   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz'
2025-08-31T09:30:25,435   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz'
2025-08-31T09:30:25,436   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz'
2025-08-31T09:30:25,437   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz'
2025-08-31T09:30:25,438   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz'
2025-08-31T09:30:25,440   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz'
2025-08-31T09:30:25,441   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz'
2025-08-31T09:30:25,442   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz'
2025-08-31T09:30:25,443   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz'
2025-08-31T09:30:25,445   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz'
2025-08-31T09:30:25,446   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz'
2025-08-31T09:30:25,447   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz'
2025-08-31T09:30:25,448   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz'
2025-08-31T09:30:25,450   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz'
2025-08-31T09:30:25,451   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz'
2025-08-31T09:30:25,452   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz'
2025-08-31T09:30:25,453   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz'
2025-08-31T09:30:25,455   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz'
2025-08-31T09:30:25,456   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz'
2025-08-31T09:30:25,457   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz'
2025-08-31T09:30:25,458   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz'
2025-08-31T09:30:25,460   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz'
2025-08-31T09:30:25,461   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz'
2025-08-31T09:30:25,462   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz'
2025-08-31T09:30:25,463   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz'
2025-08-31T09:30:25,464   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz'
2025-08-31T09:30:25,466   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz'
2025-08-31T09:30:25,467   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz'
2025-08-31T09:30:25,468   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz'
2025-08-31T09:30:25,469   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz'
2025-08-31T09:30:25,470   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz'
2025-08-31T09:30:25,472   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz'
2025-08-31T09:30:25,473   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz'
2025-08-31T09:30:25,474   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz'
2025-08-31T09:30:25,478   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz'
2025-08-31T09:30:25,479   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz'
2025-08-31T09:30:25,480   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz'
2025-08-31T09:30:25,481   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz'
2025-08-31T09:30:25,482   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz'
2025-08-31T09:30:25,484   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz'
2025-08-31T09:30:25,485   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz'
2025-08-31T09:30:25,486   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz'
2025-08-31T09:30:25,487   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz'
2025-08-31T09:30:25,488   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz'
2025-08-31T09:30:25,489   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz'
2025-08-31T09:30:25,490   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz'
2025-08-31T09:30:25,492   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz'
2025-08-31T09:30:25,493   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz'
2025-08-31T09:30:25,494   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz'
2025-08-31T09:30:25,495   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz'
2025-08-31T09:30:25,496   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz'
2025-08-31T09:30:25,498   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz'
2025-08-31T09:30:25,499   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,500   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,501   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,502   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,504   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,505   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,506   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,507   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,509   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,510   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,511   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,512   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,513   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,514   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,515   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,517   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,518   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,519   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,520   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,521   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,523   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,524   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,525   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,526   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,527   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,528   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,529   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,531   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,532   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,533   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,534   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,535   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,537   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,538   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:30:25,539   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:30:25,540   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:30:25,542   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,543   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,544   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,545   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,547   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,548   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,549   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,551   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,552   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,553   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,554   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,556   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,557   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,558   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,559   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,560   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,561   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,562   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,563   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,564   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,566   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,567   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,568   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,569   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,570   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,571   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,572   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,574   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,575   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,576   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,577   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,578   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,579   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,581   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz'
2025-08-31T09:30:25,582   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz'
2025-08-31T09:30:25,583   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz'
2025-08-31T09:30:25,586   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz'
2025-08-31T09:30:25,588   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz'
2025-08-31T09:30:25,589   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz'
2025-08-31T09:30:25,590   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz'
2025-08-31T09:30:25,591   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz'
2025-08-31T09:30:25,593   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz'
2025-08-31T09:30:25,594   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz'
2025-08-31T09:30:25,595   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz'
2025-08-31T09:30:25,597   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz'
2025-08-31T09:30:25,598   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz'
2025-08-31T09:30:25,599   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz'
2025-08-31T09:30:25,601   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz'
2025-08-31T09:30:25,602   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz'
2025-08-31T09:30:25,603   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz'
2025-08-31T09:30:25,605   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz'
2025-08-31T09:30:25,606   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz'
2025-08-31T09:30:25,607   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz'
2025-08-31T09:30:25,608   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz'
2025-08-31T09:30:25,610   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz'
2025-08-31T09:30:25,611   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz'
2025-08-31T09:30:25,612   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz'
2025-08-31T09:30:25,613   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz'
2025-08-31T09:30:25,615   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz'
2025-08-31T09:30:25,616   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz'
2025-08-31T09:30:25,617   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz'
2025-08-31T09:30:25,618   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz'
2025-08-31T09:30:25,620   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz'
2025-08-31T09:30:25,621   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz'
2025-08-31T09:30:25,622   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz'
2025-08-31T09:30:25,623   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz'
2025-08-31T09:30:25,625   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz'
2025-08-31T09:30:25,626   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz'
2025-08-31T09:30:25,627   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz'
2025-08-31T09:30:25,628   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz'
2025-08-31T09:30:25,630   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz'
2025-08-31T09:30:25,631   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz'
2025-08-31T09:30:25,632   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz'
2025-08-31T09:30:25,633   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz'
2025-08-31T09:30:25,635   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz'
2025-08-31T09:30:25,636   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz'
2025-08-31T09:30:25,637   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz'
2025-08-31T09:30:25,639   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz'
2025-08-31T09:30:25,640   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz'
2025-08-31T09:30:25,641   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz'
2025-08-31T09:30:25,643   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz'
2025-08-31T09:30:25,644   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz'
2025-08-31T09:30:25,645   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz'
2025-08-31T09:30:25,646   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz'
2025-08-31T09:30:25,648   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz'
2025-08-31T09:30:25,649   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz'
2025-08-31T09:30:25,650   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz'
2025-08-31T09:30:25,651   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz'
2025-08-31T09:30:25,653   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz'
2025-08-31T09:30:25,654   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz'
2025-08-31T09:30:25,655   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz'
2025-08-31T09:30:25,657   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz'
2025-08-31T09:30:25,658   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz'
2025-08-31T09:30:25,659   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz'
2025-08-31T09:30:25,660   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz'
2025-08-31T09:30:25,661   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz'
2025-08-31T09:30:25,662   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz'
2025-08-31T09:30:25,664   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz'
2025-08-31T09:30:25,665   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz'
2025-08-31T09:30:25,666   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz'
2025-08-31T09:30:25,667   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz'
2025-08-31T09:30:25,673   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz'
2025-08-31T09:30:25,675   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz'
2025-08-31T09:30:25,676   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz'
2025-08-31T09:30:25,677   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz'
2025-08-31T09:30:25,678   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz'
2025-08-31T09:30:25,679   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz'
2025-08-31T09:30:25,681   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz'
2025-08-31T09:30:25,682   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz'
2025-08-31T09:30:25,683   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz'
2025-08-31T09:30:25,684   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz'
2025-08-31T09:30:25,686   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz'
2025-08-31T09:30:25,687   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz'
2025-08-31T09:30:25,688   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz'
2025-08-31T09:30:25,689   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz'
2025-08-31T09:30:25,691   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz'
2025-08-31T09:30:25,692   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz'
2025-08-31T09:30:25,693   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz'
2025-08-31T09:30:25,694   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz'
2025-08-31T09:30:25,696   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz'
2025-08-31T09:30:25,697   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz'
2025-08-31T09:30:25,698   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz'
2025-08-31T09:30:25,699   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz'
2025-08-31T09:30:25,701   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz'
2025-08-31T09:30:25,702   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz'
2025-08-31T09:30:25,703   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz'
2025-08-31T09:30:25,704   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz'
2025-08-31T09:30:25,706   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz'
2025-08-31T09:30:25,707   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz'
2025-08-31T09:30:25,708   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz'
2025-08-31T09:30:25,709   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz'
2025-08-31T09:30:25,710   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz'
2025-08-31T09:30:25,712   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz'
2025-08-31T09:30:25,713   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz'
2025-08-31T09:30:25,714   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz'
2025-08-31T09:30:25,715   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz'
2025-08-31T09:30:25,716   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz'
2025-08-31T09:30:25,717   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz'
2025-08-31T09:30:25,718   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz'
2025-08-31T09:30:25,720   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz'
2025-08-31T09:30:25,721   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz'
2025-08-31T09:30:25,722   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz'
2025-08-31T09:30:25,723   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz'
2025-08-31T09:30:25,724   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz'
2025-08-31T09:30:25,725   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz'
2025-08-31T09:30:25,727   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz'
2025-08-31T09:30:25,728   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz'
2025-08-31T09:30:25,729   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz'
2025-08-31T09:30:25,730   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz'
2025-08-31T09:30:25,731   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz'
2025-08-31T09:30:25,733   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz'
2025-08-31T09:30:25,734   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz'
2025-08-31T09:30:25,735   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz'
2025-08-31T09:30:25,736   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz'
2025-08-31T09:30:25,737   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz'
2025-08-31T09:30:25,739   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz'
2025-08-31T09:30:25,740   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz'
2025-08-31T09:30:25,741   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz'
2025-08-31T09:30:25,742   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz'
2025-08-31T09:30:25,744   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz'
2025-08-31T09:30:25,745   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz'
2025-08-31T09:30:25,746   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz'
2025-08-31T09:30:25,747   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz'
2025-08-31T09:30:25,749   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz'
2025-08-31T09:30:25,750   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz'
2025-08-31T09:30:25,751   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz'
2025-08-31T09:30:25,753   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz'
2025-08-31T09:30:25,754   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz'
2025-08-31T09:30:25,755   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz'
2025-08-31T09:30:25,756   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz'
2025-08-31T09:30:25,757   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz'
2025-08-31T09:30:25,758   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz'
2025-08-31T09:30:25,760   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz'
2025-08-31T09:30:25,761   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz'
2025-08-31T09:30:25,762   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz'
2025-08-31T09:30:25,763   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz'
2025-08-31T09:30:25,764   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz'
2025-08-31T09:30:25,766   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz'
2025-08-31T09:30:25,767   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz'
2025-08-31T09:30:25,768   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz'
2025-08-31T09:30:25,769   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz'
2025-08-31T09:30:25,770   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz'
2025-08-31T09:30:25,772   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz'
2025-08-31T09:30:25,773   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz'
2025-08-31T09:30:25,774   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz'
2025-08-31T09:30:25,775   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz'
2025-08-31T09:30:25,777   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz'
2025-08-31T09:30:25,778   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz'
2025-08-31T09:30:25,779   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz'
2025-08-31T09:30:25,780   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz'
2025-08-31T09:30:25,781   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz'
2025-08-31T09:30:25,782   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz'
2025-08-31T09:30:25,784   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz'
2025-08-31T09:30:25,785   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz'
2025-08-31T09:30:25,786   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz'
2025-08-31T09:30:25,787   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz'
2025-08-31T09:30:25,788   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz'
2025-08-31T09:30:25,790   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz'
2025-08-31T09:30:25,791   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz'
2025-08-31T09:30:25,792   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz'
2025-08-31T09:30:25,793   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz'
2025-08-31T09:30:25,795   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz'
2025-08-31T09:30:25,796   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz'
2025-08-31T09:30:25,797   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz'
2025-08-31T09:30:25,799   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz'
2025-08-31T09:30:25,800   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz'
2025-08-31T09:30:25,801   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz'
2025-08-31T09:30:25,803   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz'
2025-08-31T09:30:25,804   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz'
2025-08-31T09:30:25,805   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz'
2025-08-31T09:30:25,806   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz'
2025-08-31T09:30:25,807   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz'
2025-08-31T09:30:25,809   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz'
2025-08-31T09:30:25,810   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz'
2025-08-31T09:30:25,811   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz'
2025-08-31T09:30:25,812   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz'
2025-08-31T09:30:25,813   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz'
2025-08-31T09:30:25,815   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz'
2025-08-31T09:30:25,816   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz'
2025-08-31T09:30:25,817   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz'
2025-08-31T09:30:25,818   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz'
2025-08-31T09:30:25,819   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz'
2025-08-31T09:30:25,820   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz'
2025-08-31T09:30:25,822   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz'
2025-08-31T09:30:25,823   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz'
2025-08-31T09:30:25,824   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz'
2025-08-31T09:30:25,825   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz'
2025-08-31T09:30:25,826   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz'
2025-08-31T09:30:25,828   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz'
2025-08-31T09:30:25,829   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz'
2025-08-31T09:30:25,830   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz'
2025-08-31T09:30:25,831   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz'
2025-08-31T09:30:25,832   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz'
2025-08-31T09:30:25,834   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz'
2025-08-31T09:30:25,835   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz'
2025-08-31T09:30:25,836   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz'
2025-08-31T09:30:25,840   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz'
2025-08-31T09:30:25,841   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz'
2025-08-31T09:30:25,843   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz'
2025-08-31T09:30:25,844   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz'
2025-08-31T09:30:25,846   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz'
2025-08-31T09:30:25,847   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz'
2025-08-31T09:30:25,848   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz'
2025-08-31T09:30:25,850   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz'
2025-08-31T09:30:25,851   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz'
2025-08-31T09:30:25,852   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz'
2025-08-31T09:30:25,853   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz'
2025-08-31T09:30:25,854   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz'
2025-08-31T09:30:25,855   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz'
2025-08-31T09:30:25,857   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz'
2025-08-31T09:30:25,858   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz'
2025-08-31T09:30:25,859   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz'
2025-08-31T09:30:25,860   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz'
2025-08-31T09:30:25,861   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz'
2025-08-31T09:30:25,862   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz'
2025-08-31T09:30:25,864   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz'
2025-08-31T09:30:25,865   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz'
2025-08-31T09:30:25,866   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz'
2025-08-31T09:30:25,867   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz'
2025-08-31T09:30:25,868   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz'
2025-08-31T09:30:25,869   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz'
2025-08-31T09:30:25,871   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz'
2025-08-31T09:30:25,872   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz'
2025-08-31T09:30:25,873   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz'
2025-08-31T09:30:25,874   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz'
2025-08-31T09:30:25,875   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz'
2025-08-31T09:30:25,877   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz'
2025-08-31T09:30:25,878   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz'
2025-08-31T09:30:25,879   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz'
2025-08-31T09:30:25,881   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz'
2025-08-31T09:30:25,882   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz'
2025-08-31T09:30:25,884   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz'
2025-08-31T09:30:25,885   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz'
2025-08-31T09:30:25,886   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz'
2025-08-31T09:30:25,888   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz'
2025-08-31T09:30:25,890   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz'
2025-08-31T09:30:25,891   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz'
2025-08-31T09:30:25,892   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz'
2025-08-31T09:30:25,894   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz'
2025-08-31T09:30:25,895   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz'
2025-08-31T09:30:25,896   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz'
2025-08-31T09:30:25,897   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz'
2025-08-31T09:30:25,898   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz'
2025-08-31T09:30:25,900   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz'
2025-08-31T09:30:25,901   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz'
2025-08-31T09:30:25,902   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz'
2025-08-31T09:30:25,903   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz'
2025-08-31T09:30:25,904   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz'
2025-08-31T09:30:25,905   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz'
2025-08-31T09:30:25,906   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz'
2025-08-31T09:30:25,908   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz'
2025-08-31T09:30:25,909   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz'
2025-08-31T09:30:25,910   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz'
2025-08-31T09:30:25,911   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz'
2025-08-31T09:30:25,912   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz'
2025-08-31T09:30:25,914   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz'
2025-08-31T09:30:25,915   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz'
2025-08-31T09:30:25,916   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz'
2025-08-31T09:30:25,917   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz'
2025-08-31T09:30:25,918   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz'
2025-08-31T09:30:25,920   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz'
2025-08-31T09:30:25,921   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz'
2025-08-31T09:30:25,922   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz'
2025-08-31T09:30:25,923   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz'
2025-08-31T09:30:25,924   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz'
2025-08-31T09:30:25,926   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz'
2025-08-31T09:30:25,927   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz'
2025-08-31T09:30:25,928   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz'
2025-08-31T09:30:25,929   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz'
2025-08-31T09:30:25,930   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz'
2025-08-31T09:30:25,932   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz'
2025-08-31T09:30:25,933   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz'
2025-08-31T09:30:25,934   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz'
2025-08-31T09:30:25,935   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz'
2025-08-31T09:30:25,936   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz'
2025-08-31T09:30:25,938   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz'
2025-08-31T09:30:25,939   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz'
2025-08-31T09:30:25,940   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz'
2025-08-31T09:30:25,942   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz'
2025-08-31T09:30:25,943   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz'
2025-08-31T09:30:25,944   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz'
2025-08-31T09:30:25,945   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz'
2025-08-31T09:30:25,946   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz'
2025-08-31T09:30:25,948   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz'
2025-08-31T09:30:25,949   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz'
2025-08-31T09:30:25,950   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz'
2025-08-31T09:30:25,951   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz'
2025-08-31T09:30:25,952   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz'
2025-08-31T09:30:25,954   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz'
2025-08-31T09:30:25,955   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz'
2025-08-31T09:30:25,956   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz'
2025-08-31T09:30:25,957   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz'
2025-08-31T09:30:25,958   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz'
2025-08-31T09:30:25,960   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz'
2025-08-31T09:30:25,961   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz'
2025-08-31T09:30:25,962   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz'
2025-08-31T09:30:25,964   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz'
2025-08-31T09:30:25,965   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz'
2025-08-31T09:30:25,967   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz'
2025-08-31T09:30:25,968   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz'
2025-08-31T09:30:25,969   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz'
2025-08-31T09:30:25,971   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz'
2025-08-31T09:30:25,972   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz'
2025-08-31T09:30:25,973   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz'
2025-08-31T09:30:25,974   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz'
2025-08-31T09:30:25,976   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz'
2025-08-31T09:30:25,977   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz'
2025-08-31T09:30:25,979   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz'
2025-08-31T09:30:25,980   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz'
2025-08-31T09:30:25,981   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz'
2025-08-31T09:30:25,983   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz'
2025-08-31T09:30:25,984   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz'
2025-08-31T09:30:25,985   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz'
2025-08-31T09:30:25,987   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz'
2025-08-31T09:30:25,988   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz'
2025-08-31T09:30:25,989   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz'
2025-08-31T09:30:25,990   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz'
2025-08-31T09:30:25,992   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz'
2025-08-31T09:30:25,993   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz'
2025-08-31T09:30:25,996   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:25,997   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:25,999   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,000   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,001   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,002   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,004   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,005   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,006   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,007   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,008   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,010   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,011   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,012   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,013   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,014   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,016   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,017   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,018   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,019   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,021   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,022   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,023   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,024   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,026   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,027   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,028   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,029   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,031   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,032   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,033   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,034   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,036   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,037   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,038   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,039   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,041   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,042   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,043   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,044   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,045   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,046   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,047   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,049   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,050   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,051   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,052   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,054   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:30:26,056   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz'
2025-08-31T09:30:26,058   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz'
2025-08-31T09:30:26,059   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz'
2025-08-31T09:30:26,060   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz'
2025-08-31T09:30:26,061   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz'
2025-08-31T09:30:26,062   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz'
2025-08-31T09:30:26,064   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz'
2025-08-31T09:30:26,065   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz'
2025-08-31T09:30:26,066   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz'
2025-08-31T09:30:26,067   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz'
2025-08-31T09:30:26,068   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz'
2025-08-31T09:30:26,070   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz'
2025-08-31T09:30:26,071   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz'
2025-08-31T09:30:26,072   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz'
2025-08-31T09:30:26,073   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz'
2025-08-31T09:30:26,075   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz'
2025-08-31T09:30:26,076   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz'
2025-08-31T09:30:26,077   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz'
2025-08-31T09:30:26,078   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz'
2025-08-31T09:30:26,079   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz'
2025-08-31T09:30:26,081   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz'
2025-08-31T09:30:26,082   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz'
2025-08-31T09:30:26,083   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz'
2025-08-31T09:30:26,084   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz'
2025-08-31T09:30:26,086   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz'
2025-08-31T09:30:26,087   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz'
2025-08-31T09:30:26,088   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz'
2025-08-31T09:30:26,089   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz'
2025-08-31T09:30:26,091   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz'
2025-08-31T09:30:26,092   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz'
2025-08-31T09:30:26,093   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz'
2025-08-31T09:30:26,094   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz'
2025-08-31T09:30:26,095   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz'
2025-08-31T09:30:26,096   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz'
2025-08-31T09:30:26,097   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz'
2025-08-31T09:30:26,098   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz'
2025-08-31T09:30:26,100   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz'
2025-08-31T09:30:26,101   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz'
2025-08-31T09:30:26,102   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz'
2025-08-31T09:30:26,103   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz'
2025-08-31T09:30:26,104   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz'
2025-08-31T09:30:26,106   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz'
2025-08-31T09:30:26,107   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz'
2025-08-31T09:30:26,108   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz'
2025-08-31T09:30:26,109   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz'
2025-08-31T09:30:26,110   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz'
2025-08-31T09:30:26,111   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz'
2025-08-31T09:30:26,112   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz'
2025-08-31T09:30:26,114   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz'
2025-08-31T09:30:26,115   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz'
2025-08-31T09:30:26,116   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz'
2025-08-31T09:30:26,117   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz'
2025-08-31T09:30:26,118   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz'
2025-08-31T09:30:26,119   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz'
2025-08-31T09:30:26,121   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz'
2025-08-31T09:30:26,122   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz'
2025-08-31T09:30:26,123   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz'
2025-08-31T09:30:26,124   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz'
2025-08-31T09:30:26,125   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz'
2025-08-31T09:30:26,127   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz'
2025-08-31T09:30:26,129   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz'
2025-08-31T09:30:26,130   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz'
2025-08-31T09:30:26,132   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz'
2025-08-31T09:30:26,133   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz'
2025-08-31T09:30:26,134   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz'
2025-08-31T09:30:26,135   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz'
2025-08-31T09:30:26,137   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz'
2025-08-31T09:30:26,138   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz'
2025-08-31T09:30:26,139   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz'
2025-08-31T09:30:26,141   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz'
2025-08-31T09:30:26,142   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz'
2025-08-31T09:30:26,143   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz'
2025-08-31T09:30:26,144   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz'
2025-08-31T09:30:26,146   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz'
2025-08-31T09:30:26,147   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz'
2025-08-31T09:30:26,148   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz'
2025-08-31T09:30:26,149   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz'
2025-08-31T09:30:26,150   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz'
2025-08-31T09:30:26,152   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz'
2025-08-31T09:30:26,153   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz'
2025-08-31T09:30:26,154   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz'
2025-08-31T09:30:26,155   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz'
2025-08-31T09:30:26,156   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz'
2025-08-31T09:30:26,158   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz'
2025-08-31T09:30:26,159   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz'
2025-08-31T09:30:26,160   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz'
2025-08-31T09:30:26,161   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz'
2025-08-31T09:30:26,163   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz'
2025-08-31T09:30:26,164   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz'
2025-08-31T09:30:26,165   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz'
2025-08-31T09:30:26,166   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz'
2025-08-31T09:30:26,167   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz'
2025-08-31T09:30:26,169   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz'
2025-08-31T09:30:26,170   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz'
2025-08-31T09:30:26,171   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz'
2025-08-31T09:30:26,172   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz'
2025-08-31T09:30:26,173   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz'
2025-08-31T09:30:26,175   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz'
2025-08-31T09:30:26,176   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz'
2025-08-31T09:30:26,177   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz'
2025-08-31T09:30:26,180   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz'
2025-08-31T09:30:26,181   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz'
2025-08-31T09:30:26,183   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz'
2025-08-31T09:30:26,184   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz'
2025-08-31T09:30:26,185   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz'
2025-08-31T09:30:26,186   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz'
2025-08-31T09:30:26,187   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz'
2025-08-31T09:30:26,188   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz'
2025-08-31T09:30:26,189   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz'
2025-08-31T09:30:26,191   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz'
2025-08-31T09:30:26,192   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz'
2025-08-31T09:30:26,193   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz'
2025-08-31T09:30:26,194   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz'
2025-08-31T09:30:26,196   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz'
2025-08-31T09:30:26,197   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz'
2025-08-31T09:30:26,198   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz'
2025-08-31T09:30:26,199   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz'
2025-08-31T09:30:26,200   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz'
2025-08-31T09:30:26,202   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz'
2025-08-31T09:30:26,203   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz'
2025-08-31T09:30:26,204   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz'
2025-08-31T09:30:26,205   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz'
2025-08-31T09:30:26,206   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz'
2025-08-31T09:30:26,208   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz'
2025-08-31T09:30:26,209   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz'
2025-08-31T09:30:26,210   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz'
2025-08-31T09:30:26,211   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz'
2025-08-31T09:30:26,212   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz'
2025-08-31T09:30:26,213   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz'
2025-08-31T09:30:26,215   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz'
2025-08-31T09:30:26,216   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz'
2025-08-31T09:30:26,217   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz'
2025-08-31T09:30:26,218   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz'
2025-08-31T09:30:26,219   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz'
2025-08-31T09:30:26,220   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz'
2025-08-31T09:30:26,221   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz'
2025-08-31T09:30:26,223   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz'
2025-08-31T09:30:26,224   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz'
2025-08-31T09:30:26,225   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz'
2025-08-31T09:30:26,226   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz'
2025-08-31T09:30:26,227   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz'
2025-08-31T09:30:26,228   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz'
2025-08-31T09:30:26,230   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz'
2025-08-31T09:30:26,231   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz'
2025-08-31T09:30:26,232   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz'
2025-08-31T09:30:26,233   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz'
2025-08-31T09:30:26,235   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz'
2025-08-31T09:30:26,236   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz'
2025-08-31T09:30:26,237   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz'
2025-08-31T09:30:26,238   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz'
2025-08-31T09:30:26,239   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz'
2025-08-31T09:30:26,241   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz'
2025-08-31T09:30:26,242   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz'
2025-08-31T09:30:26,243   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz'
2025-08-31T09:30:26,244   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz'
2025-08-31T09:30:26,246   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz'
2025-08-31T09:30:26,247   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz'
2025-08-31T09:30:26,248   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz'
2025-08-31T09:30:26,250   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz'
2025-08-31T09:30:26,251   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz'
2025-08-31T09:30:26,253   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz'
2025-08-31T09:30:26,254   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz'
2025-08-31T09:30:26,256   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz'
2025-08-31T09:30:26,257   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz'
2025-08-31T09:30:26,258   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz'
2025-08-31T09:30:26,259   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz'
2025-08-31T09:30:26,260   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz'
2025-08-31T09:30:26,262   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz'
2025-08-31T09:30:26,263   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz'
2025-08-31T09:30:26,264   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz'
2025-08-31T09:30:26,266   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz'
2025-08-31T09:30:26,268   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz'
2025-08-31T09:30:26,269   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz'
2025-08-31T09:30:26,270   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz'
2025-08-31T09:30:26,272   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz'
2025-08-31T09:30:26,273   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz'
2025-08-31T09:30:26,274   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz'
2025-08-31T09:30:26,276   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:30:26,277   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz'
2025-08-31T09:30:26,278   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz'
2025-08-31T09:30:26,279   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz'
2025-08-31T09:30:26,281   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz'
2025-08-31T09:30:26,282   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz'
2025-08-31T09:30:26,283   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz'
2025-08-31T09:30:26,285   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz'
2025-08-31T09:30:26,286   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:30:26,287   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:30:26,289   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz'
2025-08-31T09:30:26,290   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz'
2025-08-31T09:30:26,291   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz'
2025-08-31T09:30:26,293   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz'
2025-08-31T09:30:26,295   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz'
2025-08-31T09:30:26,297   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz'
2025-08-31T09:30:26,298   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz'
2025-08-31T09:30:26,299   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz'
2025-08-31T09:30:26,301   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz'
2025-08-31T09:30:26,302   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz'
2025-08-31T09:30:26,303   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz'
2025-08-31T09:30:26,304   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz'
2025-08-31T09:30:26,306   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz'
2025-08-31T09:30:26,307   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz'
2025-08-31T09:30:26,308   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz'
2025-08-31T09:30:26,309   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz'
2025-08-31T09:30:26,311   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz'
2025-08-31T09:30:26,312   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz'
2025-08-31T09:30:26,313   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz'
2025-08-31T09:30:26,314   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz'
2025-08-31T09:30:26,316   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz'
2025-08-31T09:30:26,317   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz'
2025-08-31T09:30:26,318   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz'
2025-08-31T09:30:26,319   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz'
2025-08-31T09:30:26,320   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz'
2025-08-31T09:30:26,325   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz'
2025-08-31T09:30:26,326   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz'
2025-08-31T09:30:26,327   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz'
2025-08-31T09:30:26,329   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz'
2025-08-31T09:30:26,330   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz'
2025-08-31T09:30:26,331   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz'
2025-08-31T09:30:26,333   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz'
2025-08-31T09:30:26,334   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz'
2025-08-31T09:30:26,335   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz'
2025-08-31T09:30:26,337   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz'
2025-08-31T09:30:26,339   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz'
2025-08-31T09:30:26,341   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz'
2025-08-31T09:30:26,375   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz'
2025-08-31T09:30:26,377   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz'
2025-08-31T09:30:26,379   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz'
2025-08-31T09:30:26,381   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz'
2025-08-31T09:30:26,383   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz'
2025-08-31T09:30:26,385   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz'
2025-08-31T09:30:26,388   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz'
2025-08-31T09:30:26,390   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz'
2025-08-31T09:30:26,393   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz'
2025-08-31T09:30:26,396   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz'
2025-08-31T09:30:26,398   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz'
2025-08-31T09:30:26,400   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz'
2025-08-31T09:30:26,403   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz'
2025-08-31T09:30:26,405   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz'
2025-08-31T09:30:26,407   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz'
2025-08-31T09:30:26,409   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz'
2025-08-31T09:30:26,410   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz'
2025-08-31T09:30:26,412   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz'
2025-08-31T09:30:26,415   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz'
2025-08-31T09:30:26,417   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz'
2025-08-31T09:30:26,419   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz'
2025-08-31T09:30:26,421   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz'
2025-08-31T09:30:26,423   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz'
2025-08-31T09:30:26,425   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz'
2025-08-31T09:30:26,428   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz'
2025-08-31T09:30:26,430   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz'
2025-08-31T09:30:26,432   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz'
2025-08-31T09:30:26,435   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz'
2025-08-31T09:30:26,436   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz'
2025-08-31T09:30:26,438   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz'
2025-08-31T09:30:26,439   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz'
2025-08-31T09:30:26,441   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz'
2025-08-31T09:30:26,442   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz'
2025-08-31T09:30:26,444   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz'
2025-08-31T09:30:26,446   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz'
2025-08-31T09:30:26,447   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz'
2025-08-31T09:30:26,449   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz'
2025-08-31T09:30:26,450   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz'
2025-08-31T09:30:26,452   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz'
2025-08-31T09:30:26,454   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz'
2025-08-31T09:30:26,455   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz'
2025-08-31T09:30:26,457   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz'
2025-08-31T09:30:26,458   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz'
2025-08-31T09:30:26,459   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz'
2025-08-31T09:30:26,461   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz'
2025-08-31T09:30:26,462   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz'
2025-08-31T09:30:26,463   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz'
2025-08-31T09:30:26,464   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz'
2025-08-31T09:30:26,466   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz'
2025-08-31T09:30:26,467   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz'
2025-08-31T09:30:26,468   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz'
2025-08-31T09:30:26,470   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz'
2025-08-31T09:30:26,471   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz'
2025-08-31T09:30:26,473   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz'
2025-08-31T09:30:26,474   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz'
2025-08-31T09:30:26,475   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz'
2025-08-31T09:30:26,477   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz'
2025-08-31T09:30:26,478   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz'
2025-08-31T09:30:26,479   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz'
2025-08-31T09:30:26,480   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz'
2025-08-31T09:30:26,482   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz'
2025-08-31T09:30:26,483   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz'
2025-08-31T09:30:26,484   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz'
2025-08-31T09:30:26,486   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz'
2025-08-31T09:30:26,488   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz'
2025-08-31T09:30:26,489   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz'
2025-08-31T09:30:26,491   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz'
2025-08-31T09:30:26,494   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz'
2025-08-31T09:30:26,495   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz'
2025-08-31T09:30:26,497   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz'
2025-08-31T09:30:26,499   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz'
2025-08-31T09:30:26,501   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz'
2025-08-31T09:30:26,503   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz'
2025-08-31T09:30:26,505   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz'
2025-08-31T09:30:26,507   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz'
2025-08-31T09:30:26,508   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz'
2025-08-31T09:30:26,509   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz'
2025-08-31T09:30:26,511   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz'
2025-08-31T09:30:26,512   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz'
2025-08-31T09:30:26,514   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz'
2025-08-31T09:30:26,515   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz'
2025-08-31T09:30:26,516   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz'
2025-08-31T09:30:26,517   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz'
2025-08-31T09:30:26,519   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz'
2025-08-31T09:30:26,520   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz'
2025-08-31T09:30:26,521   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz'
2025-08-31T09:30:26,523   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz'
2025-08-31T09:30:26,524   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz'
2025-08-31T09:30:26,525   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz'
2025-08-31T09:30:26,526   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz'
2025-08-31T09:30:26,528   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz'
2025-08-31T09:30:26,529   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz'
2025-08-31T09:30:26,530   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz'
2025-08-31T09:30:26,531   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz'
2025-08-31T09:30:26,533   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz'
2025-08-31T09:30:26,534   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz'
2025-08-31T09:30:26,535   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz'
2025-08-31T09:30:26,537   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz'
2025-08-31T09:30:26,538   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz'
2025-08-31T09:30:26,539   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz'
2025-08-31T09:30:26,540   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz'
2025-08-31T09:30:26,542   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz'
2025-08-31T09:30:26,543   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz'
2025-08-31T09:30:26,544   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz'
2025-08-31T09:30:26,546   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz'
2025-08-31T09:30:26,547   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz'
2025-08-31T09:30:26,548   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz'
2025-08-31T09:30:26,550   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz'
2025-08-31T09:30:26,553   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz'
2025-08-31T09:30:26,554   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz'
2025-08-31T09:30:26,555   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz'
2025-08-31T09:30:26,557   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz'
2025-08-31T09:30:26,558   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz'
2025-08-31T09:30:26,559   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz'
2025-08-31T09:30:26,560   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz'
2025-08-31T09:30:26,562   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz'
2025-08-31T09:30:26,563   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz'
2025-08-31T09:30:26,564   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz'
2025-08-31T09:30:26,565   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz'
2025-08-31T09:30:26,566   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz'
2025-08-31T09:30:26,568   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz'
2025-08-31T09:30:26,569   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz'
2025-08-31T09:30:26,570   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz'
2025-08-31T09:30:26,571   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz'
2025-08-31T09:30:26,572   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz'
2025-08-31T09:30:26,573   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz'
2025-08-31T09:30:26,574   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz'
2025-08-31T09:30:26,576   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz'
2025-08-31T09:30:26,577   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz'
2025-08-31T09:30:26,578   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz'
2025-08-31T09:30:26,579   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz'
2025-08-31T09:30:26,580   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz'
2025-08-31T09:30:26,581   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz'
2025-08-31T09:30:26,583   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz'
2025-08-31T09:30:26,584   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz'
2025-08-31T09:30:26,585   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz'
2025-08-31T09:30:26,586   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz'
2025-08-31T09:30:26,587   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz'
2025-08-31T09:30:26,588   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz'
2025-08-31T09:30:26,590   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz'
2025-08-31T09:30:26,591   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz'
2025-08-31T09:30:26,593   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz'
2025-08-31T09:30:26,594   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz'
2025-08-31T09:30:26,595   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz'
2025-08-31T09:30:26,596   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz'
2025-08-31T09:30:26,597   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz'
2025-08-31T09:30:26,598   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz'
2025-08-31T09:30:26,600   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz'
2025-08-31T09:30:26,601   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz'
2025-08-31T09:30:26,602   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz'
2025-08-31T09:30:26,604   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz'
2025-08-31T09:30:26,605   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz'
2025-08-31T09:30:26,607   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz'
2025-08-31T09:30:26,608   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz'
2025-08-31T09:30:26,609   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz'
2025-08-31T09:30:26,610   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz'
2025-08-31T09:30:26,611   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz'
2025-08-31T09:30:26,612   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz'
2025-08-31T09:30:26,614   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz'
2025-08-31T09:30:26,615   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz'
2025-08-31T09:30:26,616   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz'
2025-08-31T09:30:26,617   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz'
2025-08-31T09:30:26,618   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz'
2025-08-31T09:30:26,619   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz'
2025-08-31T09:30:26,620   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz'
2025-08-31T09:30:26,622   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz'
2025-08-31T09:30:26,623   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz'
2025-08-31T09:30:26,624   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz'
2025-08-31T09:30:26,625   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz'
2025-08-31T09:30:26,626   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz'
2025-08-31T09:30:26,627   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz'
2025-08-31T09:30:26,628   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz'
2025-08-31T09:30:26,629   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz'
2025-08-31T09:30:26,631   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz'
2025-08-31T09:30:26,632   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz'
2025-08-31T09:30:26,633   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz'
2025-08-31T09:30:26,635   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz'
2025-08-31T09:30:26,637   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz'
2025-08-31T09:30:26,638   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz'
2025-08-31T09:30:26,639   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz'
2025-08-31T09:30:26,640   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz'
2025-08-31T09:30:26,641   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz'
2025-08-31T09:30:26,643   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz'
2025-08-31T09:30:26,644   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz'
2025-08-31T09:30:26,645   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz'
2025-08-31T09:30:26,646   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz'
2025-08-31T09:30:26,648   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz'
2025-08-31T09:30:26,649   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz'
2025-08-31T09:30:26,650   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz'
2025-08-31T09:30:26,651   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz'
2025-08-31T09:30:26,653   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz'
2025-08-31T09:30:26,655   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz'
2025-08-31T09:30:26,657   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz'
2025-08-31T09:30:26,659   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz'
2025-08-31T09:30:26,662   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz'
2025-08-31T09:30:26,697   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz'
2025-08-31T09:30:26,699   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz'
2025-08-31T09:30:26,702   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz'
2025-08-31T09:30:26,704   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz'
2025-08-31T09:30:26,706   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz'
2025-08-31T09:30:26,708   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz'
2025-08-31T09:30:26,710   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz'
2025-08-31T09:30:26,712   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz'
2025-08-31T09:30:26,714   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz'
2025-08-31T09:30:26,715   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz'
2025-08-31T09:30:26,717   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz'
2025-08-31T09:30:26,719   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz'
2025-08-31T09:30:26,720   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz'
2025-08-31T09:30:26,722   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz'
2025-08-31T09:30:26,724   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz'
2025-08-31T09:30:26,726   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz'
2025-08-31T09:30:26,727   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz'
2025-08-31T09:30:26,728   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz'
2025-08-31T09:30:26,729   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz'
2025-08-31T09:30:26,730   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz'
2025-08-31T09:30:26,731   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz'
2025-08-31T09:30:26,733   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz'
2025-08-31T09:30:26,734   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz'
2025-08-31T09:30:26,735   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz'
2025-08-31T09:30:26,737   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz'
2025-08-31T09:30:26,740   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz'
2025-08-31T09:30:26,742   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,743   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,744   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,745   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,746   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,748   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,749   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,751   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,752   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,754   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,755   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,756   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz'
2025-08-31T09:30:26,758   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,759   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,760   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,761   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,762   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,764   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,765   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,766   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,768   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,769   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,770   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,771   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz'
2025-08-31T09:30:26,773   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,774   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,775   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,776   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,778   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,779   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,780   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,781   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,782   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,784   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,785   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,787   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz'
2025-08-31T09:30:26,788   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,789   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,790   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,791   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,793   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,795   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,796   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,797   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,798   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,799   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,801   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,802   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz'
2025-08-31T09:30:26,803   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,805   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,806   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,807   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,808   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,810   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,811   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,812   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,814   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,815   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,816   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,818   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz'
2025-08-31T09:30:26,819   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,820   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,822   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,823   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,824   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,826   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,827   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,828   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,829   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,830   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,831   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,833   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz'
2025-08-31T09:30:26,834   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,836   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,837   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,838   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,839   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,841   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,842   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,843   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,844   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,846   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,847   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,848   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz'
2025-08-31T09:30:26,849   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,850   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,852   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,853   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,854   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,855   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,857   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,858   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,859   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,860   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,861   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,863   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz'
2025-08-31T09:30:26,864   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,865   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,866   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,867   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,869   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,870   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,871   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,872   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,874   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,875   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,876   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,878   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz'
2025-08-31T09:30:26,879   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz'
2025-08-31T09:30:26,880   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz'
2025-08-31T09:30:26,881   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz'
2025-08-31T09:30:26,882   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz'
2025-08-31T09:30:26,884   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz'
2025-08-31T09:30:26,885   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz'
2025-08-31T09:30:26,886   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz'
2025-08-31T09:30:26,887   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz'
2025-08-31T09:30:26,889   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz'
2025-08-31T09:30:26,890   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz'
2025-08-31T09:30:26,891   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz'
2025-08-31T09:30:26,894   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz'
2025-08-31T09:30:26,896   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz'
2025-08-31T09:30:26,899   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz'
2025-08-31T09:30:26,901   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz'
2025-08-31T09:30:26,903   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz'
2025-08-31T09:30:26,904   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz'
2025-08-31T09:30:26,906   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz'
2025-08-31T09:30:26,907   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz'
2025-08-31T09:30:26,908   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz'
2025-08-31T09:30:26,910   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz'
2025-08-31T09:30:26,911   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz'
2025-08-31T09:30:26,912   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz'
2025-08-31T09:30:26,914   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz'
2025-08-31T09:30:26,916   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz'
2025-08-31T09:30:26,917   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz'
2025-08-31T09:30:26,919   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz'
2025-08-31T09:30:26,921   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz'
2025-08-31T09:30:26,955   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz'
2025-08-31T09:30:26,957   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz'
2025-08-31T09:30:26,959   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz'
2025-08-31T09:30:26,961   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz'
2025-08-31T09:30:26,963   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz'
2025-08-31T09:30:26,965   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz'
2025-08-31T09:30:26,967   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz'
2025-08-31T09:30:26,970   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz'
2025-08-31T09:30:26,973   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz'
2025-08-31T09:30:26,976   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz'
2025-08-31T09:30:26,977   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz'
2025-08-31T09:30:26,979   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz'
2025-08-31T09:30:26,980   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz'
2025-08-31T09:30:26,982   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz'
2025-08-31T09:30:26,983   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz'
2025-08-31T09:30:26,986   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz'
2025-08-31T09:30:26,988   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz'
2025-08-31T09:30:26,989   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz'
2025-08-31T09:30:26,990   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz'
2025-08-31T09:30:26,992   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz'
2025-08-31T09:30:26,993   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz'
2025-08-31T09:30:26,994   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz'
2025-08-31T09:30:26,995   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz'
2025-08-31T09:30:26,997   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz'
2025-08-31T09:30:26,999   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz'
2025-08-31T09:30:27,000   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz'
2025-08-31T09:30:27,002   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz'
2025-08-31T09:30:27,004   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz'
2025-08-31T09:30:27,005   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz'
2025-08-31T09:30:27,006   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz'
2025-08-31T09:30:27,008   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz'
2025-08-31T09:30:27,009   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz'
2025-08-31T09:30:27,011   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz'
2025-08-31T09:30:27,015   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz'
2025-08-31T09:30:27,016   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz'
2025-08-31T09:30:27,018   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz'
2025-08-31T09:30:27,020   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz'
2025-08-31T09:30:27,021   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz'
2025-08-31T09:30:27,023   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz'
2025-08-31T09:30:27,024   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz'
2025-08-31T09:30:27,026   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz'
2025-08-31T09:30:27,027   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz'
2025-08-31T09:30:27,029   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz'
2025-08-31T09:30:27,030   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz'
2025-08-31T09:30:27,032   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz'
2025-08-31T09:30:27,033   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz'
2025-08-31T09:30:27,034   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz'
2025-08-31T09:30:27,036   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz'
2025-08-31T09:30:27,037   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz'
2025-08-31T09:30:27,039   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz'
2025-08-31T09:30:27,041   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz'
2025-08-31T09:30:27,042   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz'
2025-08-31T09:30:27,044   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz'
2025-08-31T09:30:27,046   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz'
2025-08-31T09:30:27,048   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz'
2025-08-31T09:30:27,049   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz'
2025-08-31T09:30:27,051   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz'
2025-08-31T09:30:27,052   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz'
2025-08-31T09:30:27,054   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz'
2025-08-31T09:30:27,055   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz'
2025-08-31T09:30:27,057   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz'
2025-08-31T09:30:27,058   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz'
2025-08-31T09:30:27,060   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz'
2025-08-31T09:30:27,062   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz'
2025-08-31T09:30:27,064   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz'
2025-08-31T09:30:27,066   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz'
2025-08-31T09:30:27,068   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz'
2025-08-31T09:30:27,070   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz'
2025-08-31T09:30:27,072   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz'
2025-08-31T09:30:27,074   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz'
2025-08-31T09:30:27,077   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz'
2025-08-31T09:30:27,079   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz'
2025-08-31T09:30:27,081   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz'
2025-08-31T09:30:27,083   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz'
2025-08-31T09:30:27,085   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz'
2025-08-31T09:30:27,087   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz'
2025-08-31T09:30:27,088   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz'
2025-08-31T09:30:27,089   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz'
2025-08-31T09:30:27,091   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz'
2025-08-31T09:30:27,092   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz'
2025-08-31T09:30:27,094   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz'
2025-08-31T09:30:27,096   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz'
2025-08-31T09:30:27,098   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz'
2025-08-31T09:30:27,315   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz'
2025-08-31T09:30:27,316   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz'
2025-08-31T09:30:27,319   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz'
2025-08-31T09:30:27,321   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz'
2025-08-31T09:30:27,323   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz'
2025-08-31T09:30:27,325   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz'
2025-08-31T09:30:27,327   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz'
2025-08-31T09:30:27,328   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz'
2025-08-31T09:30:27,330   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz'
2025-08-31T09:30:27,331   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz'
2025-08-31T09:30:27,332   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz'
2025-08-31T09:30:27,334   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz'
2025-08-31T09:30:27,335   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz'
2025-08-31T09:30:27,336   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz'
2025-08-31T09:30:27,338   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz'
2025-08-31T09:30:27,339   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz'
2025-08-31T09:30:27,340   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz'
2025-08-31T09:30:27,341   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz'
2025-08-31T09:30:27,343   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz'
2025-08-31T09:30:27,344   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz'
2025-08-31T09:30:27,345   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz'
2025-08-31T09:30:27,347   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz'
2025-08-31T09:30:27,349   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz'
2025-08-31T09:30:27,350   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz'
2025-08-31T09:30:27,351   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz'
2025-08-31T09:30:27,352   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz'
2025-08-31T09:30:27,358   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz'
2025-08-31T09:30:27,359   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,361   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,362   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,363   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,364   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,365   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,366   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,368   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,369   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,370   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,371   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,372   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,374   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,375   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,376   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,377   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,379   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,380   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,381   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,382   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,384   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz'
2025-08-31T09:30:27,385   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,386   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,387   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,389   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,390   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,391   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,392   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,394   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,395   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,396   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,397   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,398   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,399   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,400   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,401   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,403   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,404   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,405   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,406   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,408   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,409   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz'
2025-08-31T09:30:27,410   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,412   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,413   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,414   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,415   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,416   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,418   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,419   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,420   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,421   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,422   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,423   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,425   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,426   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,427   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,428   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,430   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,431   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,432   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,434   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,435   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz'
2025-08-31T09:30:27,436   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,437   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,439   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,440   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,441   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,442   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,443   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,445   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,446   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,447   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,448   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,450   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,451   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,452   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,453   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,454   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,456   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,457   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,458   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,460   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,461   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz'
2025-08-31T09:30:27,463   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,464   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,465   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,467   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,468   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,469   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,470   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,471   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,473   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,474   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,475   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,476   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,477   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,478   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,480   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,481   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,482   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,483   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,484   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,486   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,487   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz'
2025-08-31T09:30:27,488   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,490   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,491   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,492   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,493   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,494   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,496   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,497   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,498   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,499   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,500   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,501   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,502   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,503   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,505   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,506   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,507   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,508   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,509   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,510   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,512   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz'
2025-08-31T09:30:27,513   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,514   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,515   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,517   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,518   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,519   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,520   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,521   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,523   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,524   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,525   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,526   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,527   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,529   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,530   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,531   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,532   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,533   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,535   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,536   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,537   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz'
2025-08-31T09:30:27,538   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,539   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,541   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,542   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,543   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,544   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,545   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,546   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,548   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,549   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,550   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,551   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,552   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,554   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,555   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,556   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,557   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,558   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,559   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,561   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,562   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz'
2025-08-31T09:30:27,563   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,565   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,566   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,567   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,568   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,569   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,570   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,572   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,573   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,574   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,576   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,577   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,578   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,579   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,581   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,582   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,584   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,585   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,586   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,587   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,589   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz'
2025-08-31T09:30:27,590   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,591   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,592   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,593   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,595   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,596   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,597   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,598   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,599   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,600   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,602   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,603   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,604   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,605   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,606   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,608   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,609   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,610   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,611   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,612   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,614   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz'
2025-08-31T09:30:27,616   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz'
2025-08-31T09:30:27,618   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz'
2025-08-31T09:30:27,619   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz'
2025-08-31T09:30:27,621   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz'
2025-08-31T09:30:27,627   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz'
2025-08-31T09:30:27,628   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,629   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,631   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,632   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,633   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,634   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,635   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,637   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,638   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,639   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,641   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,642   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,644   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,645   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,646   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,647   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,648   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,649   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,651   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,652   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,653   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz'
2025-08-31T09:30:27,654   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,656   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,657   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,658   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,659   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,660   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,661   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,663   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,664   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,665   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,666   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,667   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,668   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,670   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,671   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,672   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,673   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,675   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,676   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,677   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,678   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz'
2025-08-31T09:30:27,680   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,681   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,682   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,684   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,685   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,687   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,688   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,689   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,691   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,692   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,693   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,694   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,696   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,697   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,698   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,699   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,700   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,701   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,702   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,704   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,705   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz'
2025-08-31T09:30:27,706   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,708   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,709   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,710   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,711   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,713   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,714   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,715   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,716   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,718   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,719   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,720   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,721   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,723   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,724   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,725   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,726   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,727   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,729   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,730   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,731   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz'
2025-08-31T09:30:27,733   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,734   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,735   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,736   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,738   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,739   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,741   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,742   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,743   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,745   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,746   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,747   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,749   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,750   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,751   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,753   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,754   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,756   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,757   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,759   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,760   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz'
2025-08-31T09:30:27,762   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,763   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,764   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,766   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,767   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,768   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,770   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,771   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,772   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,773   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,774   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,775   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,777   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,778   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,779   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,780   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,781   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,783   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,784   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,785   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,787   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz'
2025-08-31T09:30:27,788   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,790   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,791   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,792   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,794   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,795   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,796   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,797   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,798   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,799   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,801   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,802   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,803   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,804   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,805   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,806   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,808   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,809   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,810   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,811   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,813   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz'
2025-08-31T09:30:27,814   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,815   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,817   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,818   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,819   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,820   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,821   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,823   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,824   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,825   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,826   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,828   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,829   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,830   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,832   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,833   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,834   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,835   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,836   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,837   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,839   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz'
2025-08-31T09:30:27,840   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,842   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,843   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,844   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,845   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,846   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,848   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,849   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,850   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,851   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,852   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,854   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,855   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,856   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,857   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,859   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,860   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,861   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,862   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,863   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,864   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz'
2025-08-31T09:30:27,866   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-08-31T09:30:27,867   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-08-31T09:30:27,868   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-08-31T09:30:27,869   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-08-31T09:30:27,870   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-08-31T09:30:27,871   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-08-31T09:30:27,872   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-08-31T09:30:27,874   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-08-31T09:30:27,875   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-08-31T09:30:27,876   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-08-31T09:30:27,877   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-08-31T09:30:27,878   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-08-31T09:30:27,879   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-08-31T09:30:27,881   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-08-31T09:30:27,882   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-08-31T09:30:27,883   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-08-31T09:30:27,884   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-08-31T09:30:27,886   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-08-31T09:30:27,887   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-08-31T09:30:27,888   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-08-31T09:30:27,890   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz'
2025-08-31T09:30:27,892   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz'
2025-08-31T09:30:27,893   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz'
2025-08-31T09:30:27,895   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz'
2025-08-31T09:30:27,898   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz'
2025-08-31T09:30:27,899   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,900   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,901   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,902   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,904   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,905   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,906   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz'
2025-08-31T09:30:27,907   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,909   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,910   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,911   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,912   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,914   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,915   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz'
2025-08-31T09:30:27,916   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,918   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,919   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,920   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,921   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,922   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,924   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz'
2025-08-31T09:30:27,925   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,926   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,927   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,928   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,930   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,931   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,932   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz'
2025-08-31T09:30:27,933   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,934   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,936   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,937   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,938   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,939   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,940   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz'
2025-08-31T09:30:27,942   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,943   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,944   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,945   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,946   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,948   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,949   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz'
2025-08-31T09:30:27,950   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,951   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,953   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,954   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,955   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,956   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,958   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz'
2025-08-31T09:30:27,959   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz'
2025-08-31T09:30:27,960   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz'
2025-08-31T09:30:27,961   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz'
2025-08-31T09:30:27,963   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz'
2025-08-31T09:30:27,964   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz'
2025-08-31T09:30:27,965   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz'
2025-08-31T09:30:27,969   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:30:27,970   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz'
2025-08-31T09:30:27,972   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz'
2025-08-31T09:30:27,973   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz'
2025-08-31T09:30:27,975   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz'
2025-08-31T09:30:27,976   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz'
2025-08-31T09:30:27,977   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz'
2025-08-31T09:30:27,978   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz'
2025-08-31T09:30:27,979   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz'
2025-08-31T09:30:27,981   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz'
2025-08-31T09:30:27,982   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz'
2025-08-31T09:30:27,983   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz'
2025-08-31T09:30:27,984   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz'
2025-08-31T09:30:27,986   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz'
2025-08-31T09:30:27,987   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz'
2025-08-31T09:30:27,988   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz'
2025-08-31T09:30:27,989   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz'
2025-08-31T09:30:27,990   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz'
2025-08-31T09:30:27,991   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz'
2025-08-31T09:30:27,992   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz'
2025-08-31T09:30:27,994   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz'
2025-08-31T09:30:27,995   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz'
2025-08-31T09:30:27,996   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz'
2025-08-31T09:30:27,997   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz'
2025-08-31T09:30:27,998   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz'
2025-08-31T09:30:28,000   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz'
2025-08-31T09:30:28,001   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz'
2025-08-31T09:30:28,002   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz'
2025-08-31T09:30:28,003   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz'
2025-08-31T09:30:28,005   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz'
2025-08-31T09:30:28,006   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz'
2025-08-31T09:30:28,008   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz'
2025-08-31T09:30:28,009   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz'
2025-08-31T09:30:28,010   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz'
2025-08-31T09:30:28,011   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz'
2025-08-31T09:30:28,012   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz'
2025-08-31T09:30:28,013   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz'
2025-08-31T09:30:28,014   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz'
2025-08-31T09:30:28,015   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz'
2025-08-31T09:30:28,016   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz'
2025-08-31T09:30:28,017   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz'
2025-08-31T09:30:28,019   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz'
2025-08-31T09:30:28,020   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz'
2025-08-31T09:30:28,021   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz'
2025-08-31T09:30:28,022   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz'
2025-08-31T09:30:28,023   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz'
2025-08-31T09:30:28,025   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz'
2025-08-31T09:30:28,026   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz'
2025-08-31T09:30:28,027   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz'
2025-08-31T09:30:28,028   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz'
2025-08-31T09:30:28,029   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz'
2025-08-31T09:30:28,030   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz'
2025-08-31T09:30:28,031   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz'
2025-08-31T09:30:28,033   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz'
2025-08-31T09:30:28,034   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz'
2025-08-31T09:30:28,035   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz'
2025-08-31T09:30:28,036   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz'
2025-08-31T09:30:28,037   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz'
2025-08-31T09:30:28,038   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz'
2025-08-31T09:30:28,040   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz'
2025-08-31T09:30:28,041   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz'
2025-08-31T09:30:28,042   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz'
2025-08-31T09:30:28,043   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz'
2025-08-31T09:30:28,044   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz'
2025-08-31T09:30:28,046   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz'
2025-08-31T09:30:28,047   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz'
2025-08-31T09:30:28,048   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz'
2025-08-31T09:30:28,049   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz'
2025-08-31T09:30:28,051   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz'
2025-08-31T09:30:28,052   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz'
2025-08-31T09:30:28,053   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz'
2025-08-31T09:30:28,054   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz'
2025-08-31T09:30:28,056   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz'
2025-08-31T09:30:28,057   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz'
2025-08-31T09:30:28,058   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz'
2025-08-31T09:30:28,059   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz'
2025-08-31T09:30:28,061   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz'
2025-08-31T09:30:28,062   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz'
2025-08-31T09:30:28,063   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz'
2025-08-31T09:30:28,064   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz'
2025-08-31T09:30:28,065   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz'
2025-08-31T09:30:28,066   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz'
2025-08-31T09:30:28,068   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz'
2025-08-31T09:30:28,069   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz'
2025-08-31T09:30:28,070   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz'
2025-08-31T09:30:28,071   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz'
2025-08-31T09:30:28,073   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz'
2025-08-31T09:30:28,074   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz'
2025-08-31T09:30:28,075   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz'
2025-08-31T09:30:28,077   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz'
2025-08-31T09:30:28,078   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz'
2025-08-31T09:30:28,079   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz'
2025-08-31T09:30:28,080   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz'
2025-08-31T09:30:28,082   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz'
2025-08-31T09:30:28,083   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz'
2025-08-31T09:30:28,084   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz'
2025-08-31T09:30:28,085   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz'
2025-08-31T09:30:28,086   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz'
2025-08-31T09:30:28,088   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz'
2025-08-31T09:30:28,089   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz'
2025-08-31T09:30:28,090   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz'
2025-08-31T09:30:28,093   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz'
2025-08-31T09:30:28,094   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz'
2025-08-31T09:30:28,096   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz'
2025-08-31T09:30:28,097   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz'
2025-08-31T09:30:28,098   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz'
2025-08-31T09:30:28,099   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz'
2025-08-31T09:30:28,100   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz'
2025-08-31T09:30:28,102   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz'
2025-08-31T09:30:28,103   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz'
2025-08-31T09:30:28,104   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:30:28,105   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:30:28,106   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:30:28,108   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz'
2025-08-31T09:30:28,109   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz'
2025-08-31T09:30:28,110   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz'
2025-08-31T09:30:28,111   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz'
2025-08-31T09:30:28,113   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz'
2025-08-31T09:30:28,114   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz'
2025-08-31T09:30:28,115   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz'
2025-08-31T09:30:28,116   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz'
2025-08-31T09:30:28,118   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz'
2025-08-31T09:30:28,119   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:30:28,120   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:30:28,121   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:30:28,122   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz'
2025-08-31T09:30:28,124   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz'
2025-08-31T09:30:28,125   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz'
2025-08-31T09:30:28,126   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz'
2025-08-31T09:30:28,127   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz'
2025-08-31T09:30:28,128   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz'
2025-08-31T09:30:28,130   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz'
2025-08-31T09:30:28,131   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz'
2025-08-31T09:30:28,132   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz'
2025-08-31T09:30:28,133   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:30:28,134   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:30:28,135   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:30:28,137   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz'
2025-08-31T09:30:28,138   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz'
2025-08-31T09:30:28,139   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz'
2025-08-31T09:30:28,140   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz'
2025-08-31T09:30:28,141   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz'
2025-08-31T09:30:28,143   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz'
2025-08-31T09:30:28,144   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz'
2025-08-31T09:30:28,145   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz'
2025-08-31T09:30:28,146   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz'
2025-08-31T09:30:28,149   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz'
2025-08-31T09:30:28,150   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz'
2025-08-31T09:30:28,151   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz'
2025-08-31T09:30:28,153   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz'
2025-08-31T09:30:28,154   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz'
2025-08-31T09:30:28,155   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz'
2025-08-31T09:30:28,156   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz'
2025-08-31T09:30:28,157   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz'
2025-08-31T09:30:28,158   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz'
2025-08-31T09:30:28,160   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz'
2025-08-31T09:30:28,161   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz'
2025-08-31T09:30:28,162   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz'
2025-08-31T09:30:28,163   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz'
2025-08-31T09:30:28,164   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz'
2025-08-31T09:30:28,166   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz'
2025-08-31T09:30:28,167   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz'
2025-08-31T09:30:28,168   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz'
2025-08-31T09:30:28,169   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz'
2025-08-31T09:30:28,170   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz'
2025-08-31T09:30:28,171   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz'
2025-08-31T09:30:28,173   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz'
2025-08-31T09:30:28,174   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz'
2025-08-31T09:30:28,175   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz'
2025-08-31T09:30:28,176   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz'
2025-08-31T09:30:28,177   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz'
2025-08-31T09:30:28,179   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz'
2025-08-31T09:30:28,180   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz'
2025-08-31T09:30:28,181   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz'
2025-08-31T09:30:28,182   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz'
2025-08-31T09:30:28,183   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz'
2025-08-31T09:30:28,184   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz'
2025-08-31T09:30:28,186   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz'
2025-08-31T09:30:28,187   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz'
2025-08-31T09:30:28,188   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz'
2025-08-31T09:30:28,189   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz'
2025-08-31T09:30:28,191   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz'
2025-08-31T09:30:28,192   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz'
2025-08-31T09:30:28,193   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz'
2025-08-31T09:30:28,194   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz'
2025-08-31T09:30:28,196   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz'
2025-08-31T09:30:28,197   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz'
2025-08-31T09:30:28,198   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz'
2025-08-31T09:30:28,200   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz'
2025-08-31T09:30:28,201   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz'
2025-08-31T09:30:28,202   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz'
2025-08-31T09:30:28,204   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz'
2025-08-31T09:30:28,205   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz'
2025-08-31T09:30:28,206   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz'
2025-08-31T09:30:28,207   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz'
2025-08-31T09:30:28,208   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz'
2025-08-31T09:30:28,210   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz'
2025-08-31T09:30:28,211   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz'
2025-08-31T09:30:28,212   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz'
2025-08-31T09:30:28,213   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz'
2025-08-31T09:30:28,215   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz'
2025-08-31T09:30:28,216   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz'
2025-08-31T09:30:28,217   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz'
2025-08-31T09:30:28,218   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz'
2025-08-31T09:30:28,219   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz'
2025-08-31T09:30:28,220   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz'
2025-08-31T09:30:28,221   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz'
2025-08-31T09:30:28,223   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz'
2025-08-31T09:30:28,224   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz'
2025-08-31T09:30:28,225   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz'
2025-08-31T09:30:28,226   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz'
2025-08-31T09:30:28,227   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz'
2025-08-31T09:30:28,229   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz'
2025-08-31T09:30:28,230   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz'
2025-08-31T09:30:28,231   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz'
2025-08-31T09:30:28,232   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz'
2025-08-31T09:30:28,233   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz'
2025-08-31T09:30:28,236   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz'
2025-08-31T09:30:28,237   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz'
2025-08-31T09:30:28,238   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz'
2025-08-31T09:30:28,240   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz'
2025-08-31T09:30:28,241   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,242   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,244   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz'
2025-08-31T09:30:28,245   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz'
2025-08-31T09:30:28,246   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,248   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,249   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz'
2025-08-31T09:30:28,250   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz'
2025-08-31T09:30:28,251   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,252   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,254   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz'
2025-08-31T09:30:28,255   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,256   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz'
2025-08-31T09:30:28,257   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,258   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,260   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,261   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,262   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,263   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,264   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,266   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,267   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,268   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,269   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz'
2025-08-31T09:30:28,271   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz'
2025-08-31T09:30:28,272   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,273   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,274   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,276   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,277   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,278   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz'
2025-08-31T09:30:28,280   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz'
2025-08-31T09:30:28,281   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz'
2025-08-31T09:30:28,284   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz'
2025-08-31T09:30:28,285   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz'
2025-08-31T09:30:28,287   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz'
2025-08-31T09:30:28,288   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz'
2025-08-31T09:30:28,289   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz'
2025-08-31T09:30:28,291   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz'
2025-08-31T09:30:28,292   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz'
2025-08-31T09:30:28,293   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz'
2025-08-31T09:30:28,294   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz'
2025-08-31T09:30:28,296   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz'
2025-08-31T09:30:28,297   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz'
2025-08-31T09:30:28,298   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz'
2025-08-31T09:30:28,299   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz'
2025-08-31T09:30:28,301   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz'
2025-08-31T09:30:28,302   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz'
2025-08-31T09:30:28,303   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz'
2025-08-31T09:30:28,304   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz'
2025-08-31T09:30:28,306   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz'
2025-08-31T09:30:28,307   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz'
2025-08-31T09:30:28,308   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz'
2025-08-31T09:30:28,309   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz'
2025-08-31T09:30:28,311   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz'
2025-08-31T09:30:28,312   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz'
2025-08-31T09:30:28,313   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz'
2025-08-31T09:30:28,314   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz'
2025-08-31T09:30:28,316   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz'
2025-08-31T09:30:28,317   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz'
2025-08-31T09:30:28,318   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz'
2025-08-31T09:30:28,319   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz'
2025-08-31T09:30:28,321   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz'
2025-08-31T09:30:28,322   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz'
2025-08-31T09:30:28,324   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz'
2025-08-31T09:30:28,325   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz'
2025-08-31T09:30:28,327   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz'
2025-08-31T09:30:28,328   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz'
2025-08-31T09:30:28,329   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz'
2025-08-31T09:30:28,331   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz'
2025-08-31T09:30:28,332   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz'
2025-08-31T09:30:28,333   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz'
2025-08-31T09:30:28,335   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz'
2025-08-31T09:30:28,336   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz'
2025-08-31T09:30:28,337   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz'
2025-08-31T09:30:28,338   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz'
2025-08-31T09:30:28,340   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz'
2025-08-31T09:30:28,341   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz'
2025-08-31T09:30:28,342   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz'
2025-08-31T09:30:28,343   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz'
2025-08-31T09:30:28,345   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz'
2025-08-31T09:30:28,346   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz'
2025-08-31T09:30:28,347   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz'
2025-08-31T09:30:28,348   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz'
2025-08-31T09:30:28,349   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz'
2025-08-31T09:30:28,351   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz'
2025-08-31T09:30:28,352   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz'
2025-08-31T09:30:28,353   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz'
2025-08-31T09:30:28,355   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz'
2025-08-31T09:30:28,356   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz'
2025-08-31T09:30:28,357   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz'
2025-08-31T09:30:28,358   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz'
2025-08-31T09:30:28,359   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz'
2025-08-31T09:30:28,361   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz'
2025-08-31T09:30:28,362   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz'
2025-08-31T09:30:28,363   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz'
2025-08-31T09:30:28,366   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz'
2025-08-31T09:30:28,367   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz'
2025-08-31T09:30:28,368   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz'
2025-08-31T09:30:28,370   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz'
2025-08-31T09:30:28,371   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz'
2025-08-31T09:30:28,372   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz'
2025-08-31T09:30:28,373   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz'
2025-08-31T09:30:28,374   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz'
2025-08-31T09:30:28,376   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz'
2025-08-31T09:30:28,377   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz'
2025-08-31T09:30:28,378   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz'
2025-08-31T09:30:28,379   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz'
2025-08-31T09:30:28,381   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz'
2025-08-31T09:30:28,382   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz'
2025-08-31T09:30:28,383   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz'
2025-08-31T09:30:28,384   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz'
2025-08-31T09:30:28,385   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz'
2025-08-31T09:30:28,386   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz'
2025-08-31T09:30:28,387   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz'
2025-08-31T09:30:28,389   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz'
2025-08-31T09:30:28,390   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz'
2025-08-31T09:30:28,391   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz'
2025-08-31T09:30:28,393   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz'
2025-08-31T09:30:28,394   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz'
2025-08-31T09:30:28,395   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz'
2025-08-31T09:30:28,396   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz'
2025-08-31T09:30:28,398   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz'
2025-08-31T09:30:28,399   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz'
2025-08-31T09:30:28,400   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz'
2025-08-31T09:30:28,402   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz'
2025-08-31T09:30:28,403   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz'
2025-08-31T09:30:28,404   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz'
2025-08-31T09:30:28,405   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz'
2025-08-31T09:30:28,407   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz'
2025-08-31T09:30:28,408   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz'
2025-08-31T09:30:28,409   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz'
2025-08-31T09:30:28,410   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz'
2025-08-31T09:30:28,411   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz'
2025-08-31T09:30:28,413   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz'
2025-08-31T09:30:28,414   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz'
2025-08-31T09:30:28,417   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz'
2025-08-31T09:30:28,419   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz'
2025-08-31T09:30:28,420   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz'
2025-08-31T09:30:28,421   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,422   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,424   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,425   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,426   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,427   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,429   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz'
2025-08-31T09:30:28,430   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz'
2025-08-31T09:30:28,431   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz'
2025-08-31T09:30:28,432   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,434   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,435   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,436   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:30:28,437   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:30:28,438   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:30:28,439   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,440   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,441   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,442   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:30:28,444   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:30:28,445   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:30:28,446   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,447   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,449   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,450   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:30:28,451   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:30:28,452   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:30:28,453   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,455   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,456   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,457   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:30:28,458   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:30:28,459   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:30:28,461   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,462   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,463   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,465   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz'
2025-08-31T09:30:28,466   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz'
2025-08-31T09:30:28,467   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz'
2025-08-31T09:30:28,468   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz'
2025-08-31T09:30:28,469   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz'
2025-08-31T09:30:28,471   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz'
2025-08-31T09:30:28,472   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,473   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,474   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,476   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz'
2025-08-31T09:30:28,477   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz'
2025-08-31T09:30:28,478   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz'
2025-08-31T09:30:28,479   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,481   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,482   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,483   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:30:28,484   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:30:28,486   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:30:28,487   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,488   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,489   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,491   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,492   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,493   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,494   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:30:28,495   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:30:28,497   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:30:28,498   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,499   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,500   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,502   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,503   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,504   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,505   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:30:28,507   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:30:28,508   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:30:28,509   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:30:28,510   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:30:28,511   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:30:28,513   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz'
2025-08-31T09:30:28,514   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz'
2025-08-31T09:30:28,515   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz'
2025-08-31T09:30:28,516   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:30:28,517   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:30:28,519   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:30:28,520   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:30:28,521   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:30:28,522   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:30:28,524   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:30:28,525   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:30:28,526   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:30:28,529   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz'
2025-08-31T09:30:28,530   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,531   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,532   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz'
2025-08-31T09:30:28,534   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,535   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,536   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz'
2025-08-31T09:30:28,537   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz'
2025-08-31T09:30:28,539   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,540   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,541   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz'
2025-08-31T09:30:28,542   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz'
2025-08-31T09:30:28,544   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz'
2025-08-31T09:30:28,545   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,546   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,547   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz'
2025-08-31T09:30:28,548   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz'
2025-08-31T09:30:28,549   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz'
2025-08-31T09:30:28,550   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz'
2025-08-31T09:30:28,552   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,553   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,554   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz'
2025-08-31T09:30:28,555   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz'
2025-08-31T09:30:28,556   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz'
2025-08-31T09:30:28,558   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz'
2025-08-31T09:30:28,559   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz'
2025-08-31T09:30:28,560   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz'
2025-08-31T09:30:28,561   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz'
2025-08-31T09:30:28,562   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz'
2025-08-31T09:30:28,564   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz'
2025-08-31T09:30:28,565   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz'
2025-08-31T09:30:28,566   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz'
2025-08-31T09:30:28,567   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz'
2025-08-31T09:30:28,570   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz'
2025-08-31T09:30:28,571   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz'
2025-08-31T09:30:28,573   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz'
2025-08-31T09:30:28,574   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz'
2025-08-31T09:30:28,576   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz'
2025-08-31T09:30:28,577   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz'
2025-08-31T09:30:28,578   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz'
2025-08-31T09:30:28,580   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz'
2025-08-31T09:30:28,581   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz'
2025-08-31T09:30:28,583   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz'
2025-08-31T09:30:28,584   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz'
2025-08-31T09:30:28,585   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz'
2025-08-31T09:30:28,586   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz'
2025-08-31T09:30:28,587   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz'
2025-08-31T09:30:28,588   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz'
2025-08-31T09:30:28,590   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz'
2025-08-31T09:30:28,591   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz'
2025-08-31T09:30:28,592   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz'
2025-08-31T09:30:28,593   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz'
2025-08-31T09:30:28,594   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz'
2025-08-31T09:30:28,595   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz'
2025-08-31T09:30:28,596   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz'
2025-08-31T09:30:28,597   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz'
2025-08-31T09:30:28,599   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz'
2025-08-31T09:30:28,600   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz'
2025-08-31T09:30:28,601   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz'
2025-08-31T09:30:28,602   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz'
2025-08-31T09:30:28,603   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz'
2025-08-31T09:30:28,604   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz'
2025-08-31T09:30:28,607   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz'
2025-08-31T09:30:28,608   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz'
2025-08-31T09:30:28,609   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz'
2025-08-31T09:30:28,610   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz'
2025-08-31T09:30:28,612   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz'
2025-08-31T09:30:28,613   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz'
2025-08-31T09:30:28,615   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz'
2025-08-31T09:30:28,616   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz'
2025-08-31T09:30:28,617   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz'
2025-08-31T09:30:28,618   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz'
2025-08-31T09:30:28,619   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz'
2025-08-31T09:30:28,620   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz'
2025-08-31T09:30:28,622   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz'
2025-08-31T09:30:28,623   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz'
2025-08-31T09:30:28,624   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz'
2025-08-31T09:30:28,625   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz'
2025-08-31T09:30:28,626   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz'
2025-08-31T09:30:28,627   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz'
2025-08-31T09:30:28,629   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz'
2025-08-31T09:30:28,630   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz'
2025-08-31T09:30:28,631   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz'
2025-08-31T09:30:28,632   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz'
2025-08-31T09:30:28,634   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz'
2025-08-31T09:30:28,635   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz'
2025-08-31T09:30:28,636   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz'
2025-08-31T09:30:28,637   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz'
2025-08-31T09:30:28,638   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz'
2025-08-31T09:30:28,640   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz'
2025-08-31T09:30:28,641   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz'
2025-08-31T09:30:28,642   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz'
2025-08-31T09:30:28,645   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:30:28,646   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz'
2025-08-31T09:30:28,647   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz'
2025-08-31T09:30:28,648   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz'
2025-08-31T09:30:28,649   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz'
2025-08-31T09:30:28,650   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz'
2025-08-31T09:30:28,651   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz'
2025-08-31T09:30:28,652   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz'
2025-08-31T09:30:28,654   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz'
2025-08-31T09:30:28,655   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz'
2025-08-31T09:30:28,656   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz'
2025-08-31T09:30:28,657   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz'
2025-08-31T09:30:28,658   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz'
2025-08-31T09:30:28,659   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz'
2025-08-31T09:30:28,661   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz'
2025-08-31T09:30:28,662   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz'
2025-08-31T09:30:28,663   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz'
2025-08-31T09:30:28,664   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz'
2025-08-31T09:30:28,665   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz'
2025-08-31T09:30:28,667   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz'
2025-08-31T09:30:28,668   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz'
2025-08-31T09:30:28,669   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz'
2025-08-31T09:30:28,670   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz'
2025-08-31T09:30:28,671   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz'
2025-08-31T09:30:28,673   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz'
2025-08-31T09:30:28,674   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz'
2025-08-31T09:30:28,675   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz'
2025-08-31T09:30:28,677   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz'
2025-08-31T09:30:28,678   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz'
2025-08-31T09:30:28,679   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz'
2025-08-31T09:30:28,680   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz'
2025-08-31T09:30:28,685   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz'
2025-08-31T09:30:28,686   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz'
2025-08-31T09:30:28,688   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz'
2025-08-31T09:30:28,689   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz'
2025-08-31T09:30:28,690   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz'
2025-08-31T09:30:28,691   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz'
2025-08-31T09:30:28,692   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz'
2025-08-31T09:30:28,693   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz'
2025-08-31T09:30:28,695   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz'
2025-08-31T09:30:28,696   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz'
2025-08-31T09:30:28,697   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz'
2025-08-31T09:30:28,698   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz'
2025-08-31T09:30:28,699   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,700   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,702   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,703   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz'
2025-08-31T09:30:28,704   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz'
2025-08-31T09:30:28,705   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz'
2025-08-31T09:30:28,706   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz'
2025-08-31T09:30:28,707   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz'
2025-08-31T09:30:28,708   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz'
2025-08-31T09:30:28,710   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz'
2025-08-31T09:30:28,711   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz'
2025-08-31T09:30:28,712   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz'
2025-08-31T09:30:28,713   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz'
2025-08-31T09:30:28,714   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz'
2025-08-31T09:30:28,715   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz'
2025-08-31T09:30:28,716   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz'
2025-08-31T09:30:28,718   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz'
2025-08-31T09:30:28,719   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz'
2025-08-31T09:30:28,720   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz'
2025-08-31T09:30:28,721   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz'
2025-08-31T09:30:28,722   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz'
2025-08-31T09:30:28,724   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz'
2025-08-31T09:30:28,725   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz'
2025-08-31T09:30:28,726   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz'
2025-08-31T09:30:28,728   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz'
2025-08-31T09:30:28,729   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz'
2025-08-31T09:30:28,730   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz'
2025-08-31T09:30:28,731   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,732   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,734   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,735   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz'
2025-08-31T09:30:28,736   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz'
2025-08-31T09:30:28,737   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz'
2025-08-31T09:30:28,739   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz'
2025-08-31T09:30:28,740   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz'
2025-08-31T09:30:28,741   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz'
2025-08-31T09:30:28,742   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz'
2025-08-31T09:30:28,744   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz'
2025-08-31T09:30:28,745   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz'
2025-08-31T09:30:28,746   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz'
2025-08-31T09:30:28,747   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz'
2025-08-31T09:30:28,749   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz'
2025-08-31T09:30:28,750   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz'
2025-08-31T09:30:28,751   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz'
2025-08-31T09:30:28,752   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz'
2025-08-31T09:30:28,753   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz'
2025-08-31T09:30:28,755   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz'
2025-08-31T09:30:28,756   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz'
2025-08-31T09:30:28,757   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz'
2025-08-31T09:30:28,759   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz'
2025-08-31T09:30:28,760   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz'
2025-08-31T09:30:28,761   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz'
2025-08-31T09:30:28,762   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz'
2025-08-31T09:30:28,763   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz'
2025-08-31T09:30:28,765   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz'
2025-08-31T09:30:28,766   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz'
2025-08-31T09:30:28,767   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz'
2025-08-31T09:30:28,768   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz'
2025-08-31T09:30:28,769   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz'
2025-08-31T09:30:28,771   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz'
2025-08-31T09:30:28,772   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz'
2025-08-31T09:30:28,773   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz'
2025-08-31T09:30:28,774   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz'
2025-08-31T09:30:28,776   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,777   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,778   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,779   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz'
2025-08-31T09:30:28,780   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz'
2025-08-31T09:30:28,782   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz'
2025-08-31T09:30:28,783   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz'
2025-08-31T09:30:28,784   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz'
2025-08-31T09:30:28,785   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz'
2025-08-31T09:30:28,787   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz'
2025-08-31T09:30:28,788   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz'
2025-08-31T09:30:28,789   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz'
2025-08-31T09:30:28,790   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,792   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,793   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,794   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz'
2025-08-31T09:30:28,795   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz'
2025-08-31T09:30:28,796   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz'
2025-08-31T09:30:28,797   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz'
2025-08-31T09:30:28,799   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz'
2025-08-31T09:30:28,800   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz'
2025-08-31T09:30:28,801   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz'
2025-08-31T09:30:28,802   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz'
2025-08-31T09:30:28,804   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz'
2025-08-31T09:30:28,806   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz'
2025-08-31T09:30:28,808   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz'
2025-08-31T09:30:28,809   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz'
2025-08-31T09:30:28,811   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz'
2025-08-31T09:30:28,812   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz'
2025-08-31T09:30:28,813   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz'
2025-08-31T09:30:28,815   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz'
2025-08-31T09:30:28,816   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz'
2025-08-31T09:30:28,817   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz'
2025-08-31T09:30:28,818   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz'
2025-08-31T09:30:28,819   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz'
2025-08-31T09:30:28,821   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz'
2025-08-31T09:30:28,822   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,823   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,824   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,825   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz'
2025-08-31T09:30:28,826   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz'
2025-08-31T09:30:28,827   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz'
2025-08-31T09:30:28,829   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz'
2025-08-31T09:30:28,830   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz'
2025-08-31T09:30:28,831   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz'
2025-08-31T09:30:28,832   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz'
2025-08-31T09:30:28,833   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz'
2025-08-31T09:30:28,835   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz'
2025-08-31T09:30:28,836   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz'
2025-08-31T09:30:28,837   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz'
2025-08-31T09:30:28,838   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz'
2025-08-31T09:30:28,839   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz'
2025-08-31T09:30:28,841   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz'
2025-08-31T09:30:28,842   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz'
2025-08-31T09:30:28,845   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz'
2025-08-31T09:30:28,846   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz'
2025-08-31T09:30:28,847   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz'
2025-08-31T09:30:28,849   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz'
2025-08-31T09:30:28,850   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz'
2025-08-31T09:30:28,851   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz'
2025-08-31T09:30:28,852   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz'
2025-08-31T09:30:28,854   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz'
2025-08-31T09:30:28,855   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz'
2025-08-31T09:30:28,857   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz'
2025-08-31T09:30:28,858   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz'
2025-08-31T09:30:28,859   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz'
2025-08-31T09:30:28,861   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz'
2025-08-31T09:30:28,862   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz'
2025-08-31T09:30:28,864   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz'
2025-08-31T09:30:28,865   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz'
2025-08-31T09:30:28,866   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz'
2025-08-31T09:30:28,868   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz'
2025-08-31T09:30:28,869   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz'
2025-08-31T09:30:28,870   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz'
2025-08-31T09:30:28,872   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz'
2025-08-31T09:30:28,873   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz'
2025-08-31T09:30:28,874   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz'
2025-08-31T09:30:28,876   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz'
2025-08-31T09:30:28,877   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz'
2025-08-31T09:30:28,879   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz'
2025-08-31T09:30:28,880   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz'
2025-08-31T09:30:28,881   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz'
2025-08-31T09:30:28,883   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz'
2025-08-31T09:30:28,884   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz'
2025-08-31T09:30:28,885   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz'
2025-08-31T09:30:28,887   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz'
2025-08-31T09:30:28,888   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz'
2025-08-31T09:30:28,889   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz'
2025-08-31T09:30:28,891   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz'
2025-08-31T09:30:28,892   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz'
2025-08-31T09:30:28,894   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz'
2025-08-31T09:30:28,895   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz'
2025-08-31T09:30:28,896   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz'
2025-08-31T09:30:28,898   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz'
2025-08-31T09:30:28,899   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz'
2025-08-31T09:30:28,900   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz'
2025-08-31T09:30:28,901   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz'
2025-08-31T09:30:28,903   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz'
2025-08-31T09:30:28,904   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz'
2025-08-31T09:30:28,905   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz'
2025-08-31T09:30:28,906   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz'
2025-08-31T09:30:28,908   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz'
2025-08-31T09:30:28,909   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz'
2025-08-31T09:30:28,910   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz'
2025-08-31T09:30:28,911   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz'
2025-08-31T09:30:28,913   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz'
2025-08-31T09:30:28,918   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz'
2025-08-31T09:30:28,919   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz'
2025-08-31T09:30:28,921   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz'
2025-08-31T09:30:28,922   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz'
2025-08-31T09:30:28,923   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz'
2025-08-31T09:30:28,924   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz'
2025-08-31T09:30:28,925   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz'
2025-08-31T09:30:28,927   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz'
2025-08-31T09:30:28,928   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz'
2025-08-31T09:30:28,929   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz'
2025-08-31T09:30:28,930   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz'
2025-08-31T09:30:28,932   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz'
2025-08-31T09:30:28,933   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz'
2025-08-31T09:30:28,934   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz'
2025-08-31T09:30:28,935   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz'
2025-08-31T09:30:28,937   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz'
2025-08-31T09:30:28,938   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz'
2025-08-31T09:30:28,939   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz'
2025-08-31T09:30:28,941   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz'
2025-08-31T09:30:28,942   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz'
2025-08-31T09:30:28,943   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz'
2025-08-31T09:30:28,945   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz'
2025-08-31T09:30:28,946   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz'
2025-08-31T09:30:28,947   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz'
2025-08-31T09:30:28,948   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz'
2025-08-31T09:30:28,950   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz'
2025-08-31T09:30:28,951   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz'
2025-08-31T09:30:28,952   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz'
2025-08-31T09:30:28,953   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz'
2025-08-31T09:30:28,955   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz'
2025-08-31T09:30:28,956   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz'
2025-08-31T09:30:28,957   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz'
2025-08-31T09:30:28,958   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz'
2025-08-31T09:30:28,959   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz'
2025-08-31T09:30:28,961   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz'
2025-08-31T09:30:28,962   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz'
2025-08-31T09:30:28,963   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz'
2025-08-31T09:30:28,964   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz'
2025-08-31T09:30:28,965   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz'
2025-08-31T09:30:28,967   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz'
2025-08-31T09:30:28,968   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz'
2025-08-31T09:30:28,969   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz'
2025-08-31T09:30:28,970   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz'
2025-08-31T09:30:28,971   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz'
2025-08-31T09:30:28,972   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz'
2025-08-31T09:30:28,974   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz'
2025-08-31T09:30:28,975   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz'
2025-08-31T09:30:28,976   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz'
2025-08-31T09:30:28,977   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz'
2025-08-31T09:30:28,978   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz'
2025-08-31T09:30:28,980   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz'
2025-08-31T09:30:28,981   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz'
2025-08-31T09:30:28,982   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz'
2025-08-31T09:30:28,983   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz'
2025-08-31T09:30:28,985   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz'
2025-08-31T09:30:28,986   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz'
2025-08-31T09:30:28,987   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz'
2025-08-31T09:30:28,988   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz'
2025-08-31T09:30:28,989   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz'
2025-08-31T09:30:28,991   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz'
2025-08-31T09:30:28,992   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz'
2025-08-31T09:30:28,993   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz'
2025-08-31T09:30:28,994   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz'
2025-08-31T09:30:28,995   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz'
2025-08-31T09:30:28,997   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz'
2025-08-31T09:30:28,998   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz'
2025-08-31T09:30:28,999   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz'
2025-08-31T09:30:29,000   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz'
2025-08-31T09:30:29,001   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz'
2025-08-31T09:30:29,002   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz'
2025-08-31T09:30:29,004   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz'
2025-08-31T09:30:29,005   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,006   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz'
2025-08-31T09:30:29,007   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz'
2025-08-31T09:30:29,008   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,009   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz'
2025-08-31T09:30:29,011   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,012   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz'
2025-08-31T09:30:29,013   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz'
2025-08-31T09:30:29,014   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz'
2025-08-31T09:30:29,015   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz'
2025-08-31T09:30:29,016   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz'
2025-08-31T09:30:29,017   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz'
2025-08-31T09:30:29,019   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz'
2025-08-31T09:30:29,020   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz'
2025-08-31T09:30:29,021   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz'
2025-08-31T09:30:29,022   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz'
2025-08-31T09:30:29,023   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,025   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz'
2025-08-31T09:30:29,026   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz'
2025-08-31T09:30:29,027   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz'
2025-08-31T09:30:29,028   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz'
2025-08-31T09:30:29,029   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz'
2025-08-31T09:30:29,031   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz'
2025-08-31T09:30:29,032   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,033   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz'
2025-08-31T09:30:29,034   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz'
2025-08-31T09:30:29,035   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz'
2025-08-31T09:30:29,037   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz'
2025-08-31T09:30:29,038   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz'
2025-08-31T09:30:29,039   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz'
2025-08-31T09:30:29,040   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz'
2025-08-31T09:30:29,041   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz'
2025-08-31T09:30:29,043   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz'
2025-08-31T09:30:29,044   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz'
2025-08-31T09:30:29,045   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz'
2025-08-31T09:30:29,046   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz'
2025-08-31T09:30:29,047   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz'
2025-08-31T09:30:29,048   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz'
2025-08-31T09:30:29,049   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,050   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz'
2025-08-31T09:30:29,051   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz'
2025-08-31T09:30:29,053   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz'
2025-08-31T09:30:29,054   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,055   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz'
2025-08-31T09:30:29,056   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz'
2025-08-31T09:30:29,057   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,058   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz'
2025-08-31T09:30:29,060   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz'
2025-08-31T09:30:29,061   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz'
2025-08-31T09:30:29,062   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz'
2025-08-31T09:30:29,063   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz'
2025-08-31T09:30:29,064   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz'
2025-08-31T09:30:29,065   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz'
2025-08-31T09:30:29,067   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz'
2025-08-31T09:30:29,068   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz'
2025-08-31T09:30:29,069   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz'
2025-08-31T09:30:29,070   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz'
2025-08-31T09:30:29,072   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz'
2025-08-31T09:30:29,073   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz'
2025-08-31T09:30:29,074   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz'
2025-08-31T09:30:29,075   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,076   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz'
2025-08-31T09:30:29,078   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz'
2025-08-31T09:30:29,079   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz'
2025-08-31T09:30:29,080   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz'
2025-08-31T09:30:29,081   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,082   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz'
2025-08-31T09:30:29,083   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz'
2025-08-31T09:30:29,085   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz'
2025-08-31T09:30:29,086   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,087   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz'
2025-08-31T09:30:29,088   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz'
2025-08-31T09:30:29,089   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz'
2025-08-31T09:30:29,090   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz'
2025-08-31T09:30:29,092   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz'
2025-08-31T09:30:29,093   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz'
2025-08-31T09:30:29,094   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz'
2025-08-31T09:30:29,095   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz'
2025-08-31T09:30:29,096   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz'
2025-08-31T09:30:29,097   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz'
2025-08-31T09:30:29,098   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz'
2025-08-31T09:30:29,099   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,100   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz'
2025-08-31T09:30:29,102   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz'
2025-08-31T09:30:29,103   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz'
2025-08-31T09:30:29,104   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz'
2025-08-31T09:30:29,105   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz'
2025-08-31T09:30:29,106   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,107   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz'
2025-08-31T09:30:29,109   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz'
2025-08-31T09:30:29,110   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz'
2025-08-31T09:30:29,111   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz'
2025-08-31T09:30:29,112   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz'
2025-08-31T09:30:29,113   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz'
2025-08-31T09:30:29,115   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz'
2025-08-31T09:30:29,116   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz'
2025-08-31T09:30:29,117   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz'
2025-08-31T09:30:29,118   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz'
2025-08-31T09:30:29,119   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz'
2025-08-31T09:30:29,121   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz'
2025-08-31T09:30:29,122   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz'
2025-08-31T09:30:29,123   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,124   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz'
2025-08-31T09:30:29,126   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz'
2025-08-31T09:30:29,127   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz'
2025-08-31T09:30:29,128   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz'
2025-08-31T09:30:29,129   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz'
2025-08-31T09:30:29,130   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,132   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz'
2025-08-31T09:30:29,133   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,134   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz'
2025-08-31T09:30:29,135   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz'
2025-08-31T09:30:29,137   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz'
2025-08-31T09:30:29,138   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz'
2025-08-31T09:30:29,139   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz'
2025-08-31T09:30:29,140   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz'
2025-08-31T09:30:29,141   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz'
2025-08-31T09:30:29,142   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz'
2025-08-31T09:30:29,144   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz'
2025-08-31T09:30:29,145   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz'
2025-08-31T09:30:29,146   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz'
2025-08-31T09:30:29,147   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz'
2025-08-31T09:30:29,148   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz'
2025-08-31T09:30:29,149   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz'
2025-08-31T09:30:29,151   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz'
2025-08-31T09:30:29,152   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz'
2025-08-31T09:30:29,153   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz'
2025-08-31T09:30:29,154   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz'
2025-08-31T09:30:29,155   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz'
2025-08-31T09:30:29,157   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz'
2025-08-31T09:30:29,158   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz'
2025-08-31T09:30:29,159   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz'
2025-08-31T09:30:29,161   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz'
2025-08-31T09:30:29,162   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz'
2025-08-31T09:30:29,164   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz'
2025-08-31T09:30:29,165   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz'
2025-08-31T09:30:29,166   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz'
2025-08-31T09:30:29,167   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz'
2025-08-31T09:30:29,168   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz'
2025-08-31T09:30:29,169   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz'
2025-08-31T09:30:29,171   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz'
2025-08-31T09:30:29,172   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz'
2025-08-31T09:30:29,173   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz'
2025-08-31T09:30:29,174   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz'
2025-08-31T09:30:29,175   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz'
2025-08-31T09:30:29,177   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz'
2025-08-31T09:30:29,178   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz'
2025-08-31T09:30:29,179   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz'
2025-08-31T09:30:29,180   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz'
2025-08-31T09:30:29,181   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz'
2025-08-31T09:30:29,183   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz'
2025-08-31T09:30:29,184   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz'
2025-08-31T09:30:29,185   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz'
2025-08-31T09:30:29,186   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz'
2025-08-31T09:30:29,189   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz'
2025-08-31T09:30:29,190   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz'
2025-08-31T09:30:29,191   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz'
2025-08-31T09:30:29,192   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz'
2025-08-31T09:30:29,194   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz'
2025-08-31T09:30:29,195   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz'
2025-08-31T09:30:29,196   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz'
2025-08-31T09:30:29,197   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz'
2025-08-31T09:30:29,198   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz'
2025-08-31T09:30:29,199   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz'
2025-08-31T09:30:29,200   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz'
2025-08-31T09:30:29,202   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz'
2025-08-31T09:30:29,203   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz'
2025-08-31T09:30:29,204   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz'
2025-08-31T09:30:29,205   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz'
2025-08-31T09:30:29,206   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz'
2025-08-31T09:30:29,208   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz'
2025-08-31T09:30:29,209   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz'
2025-08-31T09:30:29,210   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz'
2025-08-31T09:30:29,211   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz'
2025-08-31T09:30:29,212   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz'
2025-08-31T09:30:29,213   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz'
2025-08-31T09:30:29,214   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz'
2025-08-31T09:30:29,216   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz'
2025-08-31T09:30:29,217   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz'
2025-08-31T09:30:29,218   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz'
2025-08-31T09:30:29,219   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz'
2025-08-31T09:30:29,220   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz'
2025-08-31T09:30:29,221   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz'
2025-08-31T09:30:29,222   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz'
2025-08-31T09:30:29,223   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz'
2025-08-31T09:30:29,225   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz'
2025-08-31T09:30:29,226   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz'
2025-08-31T09:30:29,227   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz'
2025-08-31T09:30:29,228   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz'
2025-08-31T09:30:29,229   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz'
2025-08-31T09:30:29,230   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz'
2025-08-31T09:30:29,232   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz'
2025-08-31T09:30:29,233   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz'
2025-08-31T09:30:29,234   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz'
2025-08-31T09:30:29,235   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz'
2025-08-31T09:30:29,236   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz'
2025-08-31T09:30:29,238   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz'
2025-08-31T09:30:29,239   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz'
2025-08-31T09:30:29,240   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz'
2025-08-31T09:30:29,242   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz'
2025-08-31T09:30:29,244   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz'
2025-08-31T09:30:29,245   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz'
2025-08-31T09:30:29,246   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz'
2025-08-31T09:30:29,247   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz'
2025-08-31T09:30:29,248   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz'
2025-08-31T09:30:29,249   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz'
2025-08-31T09:30:29,251   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz'
2025-08-31T09:30:29,252   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz'
2025-08-31T09:30:29,253   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:30:29,254   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz'
2025-08-31T09:30:29,256   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz'
2025-08-31T09:30:29,257   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz'
2025-08-31T09:30:29,258   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz'
2025-08-31T09:30:29,259   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz'
2025-08-31T09:30:29,260   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz'
2025-08-31T09:30:29,261   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz'
2025-08-31T09:30:29,262   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz'
2025-08-31T09:30:29,264   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:30:29,265   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:30:29,266   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz'
2025-08-31T09:30:29,267   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz'
2025-08-31T09:30:29,268   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz'
2025-08-31T09:30:29,269   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz'
2025-08-31T09:30:29,270   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz'
2025-08-31T09:30:29,271   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz'
2025-08-31T09:30:29,273   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz'
2025-08-31T09:30:29,274   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz'
2025-08-31T09:30:29,275   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz'
2025-08-31T09:30:29,276   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz'
2025-08-31T09:30:29,278   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz'
2025-08-31T09:30:29,279   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz'
2025-08-31T09:30:29,280   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz'
2025-08-31T09:30:29,281   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz'
2025-08-31T09:30:29,282   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz'
2025-08-31T09:30:29,284   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz'
2025-08-31T09:30:29,285   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz'
2025-08-31T09:30:29,286   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz'
2025-08-31T09:30:29,287   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz'
2025-08-31T09:30:29,288   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz'
2025-08-31T09:30:29,290   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz'
2025-08-31T09:30:29,291   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz'
2025-08-31T09:30:29,292   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz'
2025-08-31T09:30:29,293   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz'
2025-08-31T09:30:29,295   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz'
2025-08-31T09:30:29,296   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz'
2025-08-31T09:30:29,297   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz'
2025-08-31T09:30:29,298   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz'
2025-08-31T09:30:29,300   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz'
2025-08-31T09:30:29,301   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz'
2025-08-31T09:30:29,302   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz'
2025-08-31T09:30:29,303   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz'
2025-08-31T09:30:29,304   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz'
2025-08-31T09:30:29,305   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz'
2025-08-31T09:30:29,306   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz'
2025-08-31T09:30:29,308   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz'
2025-08-31T09:30:29,309   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz'
2025-08-31T09:30:29,310   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz'
2025-08-31T09:30:29,311   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz'
2025-08-31T09:30:29,312   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz'
2025-08-31T09:30:29,314   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz'
2025-08-31T09:30:29,315   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz'
2025-08-31T09:30:29,317   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz'
2025-08-31T09:30:29,318   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz'
2025-08-31T09:30:29,319   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz'
2025-08-31T09:30:29,320   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz'
2025-08-31T09:30:29,321   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz'
2025-08-31T09:30:29,323   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz'
2025-08-31T09:30:29,324   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz'
2025-08-31T09:30:29,325   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz'
2025-08-31T09:30:29,326   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz'
2025-08-31T09:30:29,327   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz'
2025-08-31T09:30:29,329   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz'
2025-08-31T09:30:29,330   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz'
2025-08-31T09:30:29,331   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz'
2025-08-31T09:30:29,332   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz'
2025-08-31T09:30:29,335   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz'
2025-08-31T09:30:29,336   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz'
2025-08-31T09:30:29,337   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz'
2025-08-31T09:30:29,338   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz'
2025-08-31T09:30:29,339   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz'
2025-08-31T09:30:29,341   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz'
2025-08-31T09:30:29,342   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz'
2025-08-31T09:30:29,343   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz'
2025-08-31T09:30:29,345   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz'
2025-08-31T09:30:29,346   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz'
2025-08-31T09:30:29,347   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz'
2025-08-31T09:30:29,348   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz'
2025-08-31T09:30:29,349   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz'
2025-08-31T09:30:29,351   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz'
2025-08-31T09:30:29,352   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz'
2025-08-31T09:30:29,353   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz'
2025-08-31T09:30:29,355   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz'
2025-08-31T09:30:29,356   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz'
2025-08-31T09:30:29,357   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz'
2025-08-31T09:30:29,358   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz'
2025-08-31T09:30:29,360   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz'
2025-08-31T09:30:29,361   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz'
2025-08-31T09:30:29,362   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz'
2025-08-31T09:30:29,363   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz'
2025-08-31T09:30:29,375   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz'
2025-08-31T09:30:29,376   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz'
2025-08-31T09:30:29,377   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz'
2025-08-31T09:30:29,378   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz'
2025-08-31T09:30:29,380   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz'
2025-08-31T09:30:29,381   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz'
2025-08-31T09:30:29,382   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz'
2025-08-31T09:30:29,384   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz'
2025-08-31T09:30:29,385   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz'
2025-08-31T09:30:29,386   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz'
2025-08-31T09:30:29,387   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz'
2025-08-31T09:30:29,389   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz'
2025-08-31T09:30:29,390   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz'
2025-08-31T09:30:29,391   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz'
2025-08-31T09:30:29,392   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz'
2025-08-31T09:30:29,394   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz'
2025-08-31T09:30:29,395   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz'
2025-08-31T09:30:29,396   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz'
2025-08-31T09:30:29,397   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz'
2025-08-31T09:30:29,398   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz'
2025-08-31T09:30:29,400   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz'
2025-08-31T09:30:29,401   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz'
2025-08-31T09:30:29,403   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz'
2025-08-31T09:30:29,404   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz'
2025-08-31T09:30:29,405   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz'
2025-08-31T09:30:29,406   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz'
2025-08-31T09:30:29,408   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz'
2025-08-31T09:30:29,409   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz'
2025-08-31T09:30:29,410   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz'
2025-08-31T09:30:29,411   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz'
2025-08-31T09:30:29,412   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz'
2025-08-31T09:30:29,413   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz'
2025-08-31T09:30:29,414   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz'
2025-08-31T09:30:29,415   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz'
2025-08-31T09:30:29,416   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz'
2025-08-31T09:30:29,417   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz'
2025-08-31T09:30:29,418   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz'
2025-08-31T09:30:29,419   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz'
2025-08-31T09:30:29,420   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz'
2025-08-31T09:30:29,421   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz'
2025-08-31T09:30:29,422   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz'
2025-08-31T09:30:29,424   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz'
2025-08-31T09:30:29,425   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz'
2025-08-31T09:30:29,426   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz'
2025-08-31T09:30:29,427   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz'
2025-08-31T09:30:29,428   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz'
2025-08-31T09:30:29,429   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz'
2025-08-31T09:30:29,430   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz'
2025-08-31T09:30:29,431   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz'
2025-08-31T09:30:29,432   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz'
2025-08-31T09:30:29,434   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz'
2025-08-31T09:30:29,435   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz'
2025-08-31T09:30:29,436   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz'
2025-08-31T09:30:29,437   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz'
2025-08-31T09:30:29,439   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz'
2025-08-31T09:30:29,440   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz'
2025-08-31T09:30:29,441   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz'
2025-08-31T09:30:29,443   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz'
2025-08-31T09:30:29,444   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz'
2025-08-31T09:30:29,445   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz'
2025-08-31T09:30:29,446   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz'
2025-08-31T09:30:29,447   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz'
2025-08-31T09:30:29,449   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz'
2025-08-31T09:30:29,450   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz'
2025-08-31T09:30:29,451   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz'
2025-08-31T09:30:29,452   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz'
2025-08-31T09:30:29,454   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz'
2025-08-31T09:30:29,455   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz'
2025-08-31T09:30:29,456   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz'
2025-08-31T09:30:29,457   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz'
2025-08-31T09:30:29,458   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz'
2025-08-31T09:30:29,459   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz'
2025-08-31T09:30:29,460   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz'
2025-08-31T09:30:29,461   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz'
2025-08-31T09:30:29,463   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz'
2025-08-31T09:30:29,464   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz'
2025-08-31T09:30:29,465   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz'
2025-08-31T09:30:29,466   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz'
2025-08-31T09:30:29,467   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz'
2025-08-31T09:30:29,468   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz'
2025-08-31T09:30:29,469   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz'
2025-08-31T09:30:29,471   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz'
2025-08-31T09:30:29,472   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz'
2025-08-31T09:30:29,473   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz'
2025-08-31T09:30:29,474   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz'
2025-08-31T09:30:29,475   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz'
2025-08-31T09:30:29,477   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz'
2025-08-31T09:30:29,478   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz'
2025-08-31T09:30:29,479   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz'
2025-08-31T09:30:29,480   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz'
2025-08-31T09:30:29,481   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz'
2025-08-31T09:30:29,482   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz'
2025-08-31T09:30:29,484   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz'
2025-08-31T09:30:29,485   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz'
2025-08-31T09:30:29,487   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz'
2025-08-31T09:30:29,488   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz'
2025-08-31T09:30:29,489   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz'
2025-08-31T09:30:29,490   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz'
2025-08-31T09:30:29,491   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz'
2025-08-31T09:30:29,493   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz'
2025-08-31T09:30:29,494   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz'
2025-08-31T09:30:29,495   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz'
2025-08-31T09:30:29,496   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz'
2025-08-31T09:30:29,497   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz'
2025-08-31T09:30:29,498   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz'
2025-08-31T09:30:29,499   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz'
2025-08-31T09:30:29,500   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz'
2025-08-31T09:30:29,502   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz'
2025-08-31T09:30:29,503   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz'
2025-08-31T09:30:29,504   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz'
2025-08-31T09:30:29,505   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz'
2025-08-31T09:30:29,506   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz'
2025-08-31T09:30:29,507   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz'
2025-08-31T09:30:29,509   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz'
2025-08-31T09:30:29,510   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz'
2025-08-31T09:30:29,511   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz'
2025-08-31T09:30:29,512   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz'
2025-08-31T09:30:29,513   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz'
2025-08-31T09:30:29,514   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz'
2025-08-31T09:30:29,515   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz'
2025-08-31T09:30:29,516   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz'
2025-08-31T09:30:29,517   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz'
2025-08-31T09:30:29,518   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz'
2025-08-31T09:30:29,519   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz'
2025-08-31T09:30:29,520   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz'
2025-08-31T09:30:29,522   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz'
2025-08-31T09:30:29,523   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz'
2025-08-31T09:30:29,524   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz'
2025-08-31T09:30:29,525   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz'
2025-08-31T09:30:29,526   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz'
2025-08-31T09:30:29,527   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz'
2025-08-31T09:30:29,529   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz'
2025-08-31T09:30:29,530   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz'
2025-08-31T09:30:29,531   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz'
2025-08-31T09:30:29,532   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz'
2025-08-31T09:30:29,533   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz'
2025-08-31T09:30:29,534   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz'
2025-08-31T09:30:29,535   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz'
2025-08-31T09:30:29,536   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz'
2025-08-31T09:30:29,538   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz'
2025-08-31T09:30:29,539   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz'
2025-08-31T09:30:29,540   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz'
2025-08-31T09:30:29,541   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz'
2025-08-31T09:30:29,543   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz'
2025-08-31T09:30:29,544   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz'
2025-08-31T09:30:29,545   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz'
2025-08-31T09:30:29,546   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz'
2025-08-31T09:30:29,547   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz'
2025-08-31T09:30:29,548   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz'
2025-08-31T09:30:29,550   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz'
2025-08-31T09:30:29,551   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz'
2025-08-31T09:30:29,552   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz'
2025-08-31T09:30:29,553   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz'
2025-08-31T09:30:29,554   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz'
2025-08-31T09:30:29,555   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz'
2025-08-31T09:30:29,557   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz'
2025-08-31T09:30:29,558   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz'
2025-08-31T09:30:29,559   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz'
2025-08-31T09:30:29,560   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz'
2025-08-31T09:30:29,562   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz'
2025-08-31T09:30:29,563   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz'
2025-08-31T09:30:29,564   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz'
2025-08-31T09:30:29,565   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz'
2025-08-31T09:30:29,566   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz'
2025-08-31T09:30:29,567   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz'
2025-08-31T09:30:29,568   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz'
2025-08-31T09:30:29,569   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz'
2025-08-31T09:30:29,571   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz'
2025-08-31T09:30:29,572   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz'
2025-08-31T09:30:29,573   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz'
2025-08-31T09:30:29,574   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz'
2025-08-31T09:30:29,575   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz'
2025-08-31T09:30:29,577   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz'
2025-08-31T09:30:29,578   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz'
2025-08-31T09:30:29,579   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz'
2025-08-31T09:30:29,580   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz'
2025-08-31T09:30:29,581   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz'
2025-08-31T09:30:29,582   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz'
2025-08-31T09:30:29,583   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz'
2025-08-31T09:30:29,585   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz'
2025-08-31T09:30:29,586   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz'
2025-08-31T09:30:29,587   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz'
2025-08-31T09:30:29,588   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz'
2025-08-31T09:30:29,589   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz'
2025-08-31T09:30:29,590   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz'
2025-08-31T09:30:29,591   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz'
2025-08-31T09:30:29,592   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz'
2025-08-31T09:30:29,594   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz'
2025-08-31T09:30:29,595   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz'
2025-08-31T09:30:29,596   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz'
2025-08-31T09:30:29,597   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz'
2025-08-31T09:30:29,599   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz'
2025-08-31T09:30:29,600   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz'
2025-08-31T09:30:29,601   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz'
2025-08-31T09:30:29,602   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz'
2025-08-31T09:30:29,603   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz'
2025-08-31T09:30:29,604   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz'
2025-08-31T09:30:29,606   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz'
2025-08-31T09:30:29,607   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz'
2025-08-31T09:30:29,608   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz'
2025-08-31T09:30:29,609   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz'
2025-08-31T09:30:29,610   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz'
2025-08-31T09:30:29,612   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz'
2025-08-31T09:30:29,613   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz'
2025-08-31T09:30:29,614   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz'
2025-08-31T09:30:29,615   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz'
2025-08-31T09:30:29,616   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz'
2025-08-31T09:30:29,617   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz'
2025-08-31T09:30:29,618   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz'
2025-08-31T09:30:29,619   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz'
2025-08-31T09:30:29,621   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz'
2025-08-31T09:30:29,622   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz'
2025-08-31T09:30:29,623   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz'
2025-08-31T09:30:29,624   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz'
2025-08-31T09:30:29,625   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz'
2025-08-31T09:30:29,626   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz'
2025-08-31T09:30:29,627   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz'
2025-08-31T09:30:29,628   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz'
2025-08-31T09:30:29,629   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz'
2025-08-31T09:30:29,630   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz'
2025-08-31T09:30:29,632   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz'
2025-08-31T09:30:29,633   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz'
2025-08-31T09:30:29,634   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz'
2025-08-31T09:30:29,636   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz'
2025-08-31T09:30:29,637   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz'
2025-08-31T09:30:29,638   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz'
2025-08-31T09:30:29,639   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz'
2025-08-31T09:30:29,640   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz'
2025-08-31T09:30:29,641   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz'
2025-08-31T09:30:29,642   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz'
2025-08-31T09:30:29,644   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz'
2025-08-31T09:30:29,645   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz'
2025-08-31T09:30:29,646   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz'
2025-08-31T09:30:29,647   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz'
2025-08-31T09:30:29,648   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz'
2025-08-31T09:30:29,649   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz'
2025-08-31T09:30:29,650   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz'
2025-08-31T09:30:29,651   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz'
2025-08-31T09:30:29,653   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz'
2025-08-31T09:30:29,654   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz'
2025-08-31T09:30:29,655   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz'
2025-08-31T09:30:29,656   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz'
2025-08-31T09:30:29,657   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz'
2025-08-31T09:30:29,659   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz'
2025-08-31T09:30:29,660   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz'
2025-08-31T09:30:29,661   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz'
2025-08-31T09:30:29,662   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz'
2025-08-31T09:30:29,663   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz'
2025-08-31T09:30:29,664   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz'
2025-08-31T09:30:29,665   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz'
2025-08-31T09:30:29,666   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz'
2025-08-31T09:30:29,668   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz'
2025-08-31T09:30:29,669   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz'
2025-08-31T09:30:29,670   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz'
2025-08-31T09:30:29,671   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz'
2025-08-31T09:30:29,672   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz'
2025-08-31T09:30:29,673   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz'
2025-08-31T09:30:29,675   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz'
2025-08-31T09:30:29,676   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz'
2025-08-31T09:30:29,677   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz'
2025-08-31T09:30:29,678   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz'
2025-08-31T09:30:29,679   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz'
2025-08-31T09:30:29,680   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz'
2025-08-31T09:30:29,681   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz'
2025-08-31T09:30:29,682   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz'
2025-08-31T09:30:29,684   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz'
2025-08-31T09:30:29,685   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz'
2025-08-31T09:30:29,686   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz'
2025-08-31T09:30:29,687   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz'
2025-08-31T09:30:29,688   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz'
2025-08-31T09:30:29,689   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz'
2025-08-31T09:30:29,690   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz'
2025-08-31T09:30:29,691   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz'
2025-08-31T09:30:29,693   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz'
2025-08-31T09:30:29,694   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz'
2025-08-31T09:30:29,695   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz'
2025-08-31T09:30:29,696   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz'
2025-08-31T09:30:29,697   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz'
2025-08-31T09:30:29,698   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz'
2025-08-31T09:30:29,699   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz'
2025-08-31T09:30:29,701   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz'
2025-08-31T09:30:29,702   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz'
2025-08-31T09:30:29,703   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz'
2025-08-31T09:30:29,704   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz'
2025-08-31T09:30:29,705   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz'
2025-08-31T09:30:29,706   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz'
2025-08-31T09:30:29,707   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz'
2025-08-31T09:30:29,709   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz'
2025-08-31T09:30:29,710   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz'
2025-08-31T09:30:29,711   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz'
2025-08-31T09:30:29,712   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz'
2025-08-31T09:30:29,713   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz'
2025-08-31T09:30:29,716   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz'
2025-08-31T09:30:29,717   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz'
2025-08-31T09:30:29,718   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz'
2025-08-31T09:30:29,719   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz'
2025-08-31T09:30:29,720   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz'
2025-08-31T09:30:29,721   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz'
2025-08-31T09:30:29,722   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz'
2025-08-31T09:30:29,723   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz'
2025-08-31T09:30:29,724   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz'
2025-08-31T09:30:29,725   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz'
2025-08-31T09:30:29,727   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz'
2025-08-31T09:30:29,728   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz'
2025-08-31T09:30:29,729   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz'
2025-08-31T09:30:29,730   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz'
2025-08-31T09:30:29,731   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz'
2025-08-31T09:30:29,732   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz'
2025-08-31T09:30:29,733   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz'
2025-08-31T09:30:29,734   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz'
2025-08-31T09:30:29,735   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz'
2025-08-31T09:30:29,736   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz'
2025-08-31T09:30:29,738   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz'
2025-08-31T09:30:29,739   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz'
2025-08-31T09:30:29,740   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz'
2025-08-31T09:30:29,741   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz'
2025-08-31T09:30:29,742   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz'
2025-08-31T09:30:29,743   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz'
2025-08-31T09:30:29,744   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz'
2025-08-31T09:30:29,745   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz'
2025-08-31T09:30:29,746   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz'
2025-08-31T09:30:29,748   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz'
2025-08-31T09:30:29,749   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz'
2025-08-31T09:30:29,750   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz'
2025-08-31T09:30:29,751   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz'
2025-08-31T09:30:29,753   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz'
2025-08-31T09:30:29,754   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz'
2025-08-31T09:30:29,755   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz'
2025-08-31T09:30:29,756   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz'
2025-08-31T09:30:29,757   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz'
2025-08-31T09:30:29,759   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz'
2025-08-31T09:30:29,760   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz'
2025-08-31T09:30:29,761   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz'
2025-08-31T09:30:29,762   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz'
2025-08-31T09:30:29,763   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz'
2025-08-31T09:30:29,765   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz'
2025-08-31T09:30:29,766   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz'
2025-08-31T09:30:29,767   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz'
2025-08-31T09:30:29,768   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz'
2025-08-31T09:30:29,769   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz'
2025-08-31T09:30:29,770   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz'
2025-08-31T09:30:29,771   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz'
2025-08-31T09:30:29,772   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz'
2025-08-31T09:30:29,773   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz'
2025-08-31T09:30:29,775   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz'
2025-08-31T09:30:29,776   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz'
2025-08-31T09:30:29,777   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz'
2025-08-31T09:30:29,778   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz'
2025-08-31T09:30:29,779   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz'
2025-08-31T09:30:29,780   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz'
2025-08-31T09:30:29,781   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz'
2025-08-31T09:30:29,782   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz'
2025-08-31T09:30:29,783   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz'
2025-08-31T09:30:29,784   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz'
2025-08-31T09:30:29,786   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz'
2025-08-31T09:30:29,787   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz'
2025-08-31T09:30:29,788   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz'
2025-08-31T09:30:29,789   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz'
2025-08-31T09:30:29,790   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz'
2025-08-31T09:30:29,791   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz'
2025-08-31T09:30:29,792   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz'
2025-08-31T09:30:29,793   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz'
2025-08-31T09:30:29,794   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz'
2025-08-31T09:30:29,796   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz'
2025-08-31T09:30:29,797   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz'
2025-08-31T09:30:29,798   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz'
2025-08-31T09:30:29,799   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz'
2025-08-31T09:30:29,800   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz'
2025-08-31T09:30:29,802   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz'
2025-08-31T09:30:29,803   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz'
2025-08-31T09:30:29,804   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz'
2025-08-31T09:30:29,805   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz'
2025-08-31T09:30:29,806   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz'
2025-08-31T09:30:29,807   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz'
2025-08-31T09:30:29,808   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz'
2025-08-31T09:30:29,810   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz'
2025-08-31T09:30:29,811   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz'
2025-08-31T09:30:29,812   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz'
2025-08-31T09:30:29,813   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz'
2025-08-31T09:30:29,814   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz'
2025-08-31T09:30:29,815   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz'
2025-08-31T09:30:29,816   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz'
2025-08-31T09:30:29,817   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz'
2025-08-31T09:30:29,818   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz'
2025-08-31T09:30:29,819   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz'
2025-08-31T09:30:29,821   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz'
2025-08-31T09:30:29,822   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz'
2025-08-31T09:30:29,823   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz'
2025-08-31T09:30:29,824   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz'
2025-08-31T09:30:29,825   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz'
2025-08-31T09:30:29,827   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz'
2025-08-31T09:30:29,828   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz'
2025-08-31T09:30:29,829   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz'
2025-08-31T09:30:29,830   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz'
2025-08-31T09:30:29,831   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz'
2025-08-31T09:30:29,832   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz'
2025-08-31T09:30:29,833   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz'
2025-08-31T09:30:29,835   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz'
2025-08-31T09:30:29,836   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz'
2025-08-31T09:30:29,837   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz'
2025-08-31T09:30:29,838   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz'
2025-08-31T09:30:29,839   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz'
2025-08-31T09:30:29,840   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz'
2025-08-31T09:30:29,841   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz'
2025-08-31T09:30:29,843   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz'
2025-08-31T09:30:29,844   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz'
2025-08-31T09:30:29,845   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz'
2025-08-31T09:30:29,846   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz'
2025-08-31T09:30:29,847   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz'
2025-08-31T09:30:29,848   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz'
2025-08-31T09:30:29,850   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz'
2025-08-31T09:30:29,851   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz'
2025-08-31T09:30:29,852   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz'
2025-08-31T09:30:29,853   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz'
2025-08-31T09:30:29,855   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz'
2025-08-31T09:30:29,856   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz'
2025-08-31T09:30:29,857   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz'
2025-08-31T09:30:29,858   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz'
2025-08-31T09:30:29,859   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz'
2025-08-31T09:30:29,860   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz'
2025-08-31T09:30:29,861   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz'
2025-08-31T09:30:29,863   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz'
2025-08-31T09:30:29,864   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz'
2025-08-31T09:30:29,865   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz'
2025-08-31T09:30:29,866   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz'
2025-08-31T09:30:29,867   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz'
2025-08-31T09:30:29,868   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz'
2025-08-31T09:30:29,870   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz'
2025-08-31T09:30:29,871   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz'
2025-08-31T09:30:29,872   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz'
2025-08-31T09:30:29,873   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz'
2025-08-31T09:30:29,874   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz'
2025-08-31T09:30:29,875   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz'
2025-08-31T09:30:29,876   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz'
2025-08-31T09:30:29,877   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz'
2025-08-31T09:30:29,879   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz'
2025-08-31T09:30:29,880   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz'
2025-08-31T09:30:29,881   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz'
2025-08-31T09:30:29,882   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz'
2025-08-31T09:30:29,883   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz'
2025-08-31T09:30:29,885   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz'
2025-08-31T09:30:29,886   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz'
2025-08-31T09:30:29,887   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz'
2025-08-31T09:30:29,888   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz'
2025-08-31T09:30:29,889   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz'
2025-08-31T09:30:29,890   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz'
2025-08-31T09:30:29,891   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz'
2025-08-31T09:30:29,892   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz'
2025-08-31T09:30:29,893   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz'
2025-08-31T09:30:29,895   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz'
2025-08-31T09:30:29,896   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz'
2025-08-31T09:30:29,897   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz'
2025-08-31T09:30:29,898   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz'
2025-08-31T09:30:29,899   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz'
2025-08-31T09:30:29,900   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz'
2025-08-31T09:30:29,902   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz'
2025-08-31T09:30:29,903   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz'
2025-08-31T09:30:29,904   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz'
2025-08-31T09:30:29,905   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz'
2025-08-31T09:30:29,906   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz'
2025-08-31T09:30:29,908   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz'
2025-08-31T09:30:29,909   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz'
2025-08-31T09:30:29,910   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz'
2025-08-31T09:30:29,911   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz'
2025-08-31T09:30:29,912   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz'
2025-08-31T09:30:29,914   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz'
2025-08-31T09:30:29,915   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz'
2025-08-31T09:30:29,916   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz'
2025-08-31T09:30:29,917   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz'
2025-08-31T09:30:29,918   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz'
2025-08-31T09:30:29,919   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz'
2025-08-31T09:30:29,920   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz'
2025-08-31T09:30:29,921   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz'
2025-08-31T09:30:29,923   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz'
2025-08-31T09:30:29,924   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz'
2025-08-31T09:30:29,925   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz'
2025-08-31T09:30:29,926   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz'
2025-08-31T09:30:29,927   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz'
2025-08-31T09:30:29,928   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz'
2025-08-31T09:30:29,929   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz'
2025-08-31T09:30:29,930   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz'
2025-08-31T09:30:29,931   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz'
2025-08-31T09:30:29,932   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz'
2025-08-31T09:30:29,933   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz'
2025-08-31T09:30:29,934   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz'
2025-08-31T09:30:29,936   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz'
2025-08-31T09:30:29,937   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz'
2025-08-31T09:30:29,938   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz'
2025-08-31T09:30:29,939   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz'
2025-08-31T09:30:29,940   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz'
2025-08-31T09:30:29,941   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz'
2025-08-31T09:30:29,942   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz'
2025-08-31T09:30:29,944   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz'
2025-08-31T09:30:29,945   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz'
2025-08-31T09:30:29,946   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz'
2025-08-31T09:30:29,947   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz'
2025-08-31T09:30:29,948   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz'
2025-08-31T09:30:29,949   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz'
2025-08-31T09:30:29,950   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz'
2025-08-31T09:30:29,952   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz'
2025-08-31T09:30:29,953   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz'
2025-08-31T09:30:29,954   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz'
2025-08-31T09:30:29,955   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz'
2025-08-31T09:30:29,956   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz'
2025-08-31T09:30:29,957   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz'
2025-08-31T09:30:29,958   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz'
2025-08-31T09:30:29,959   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz'
2025-08-31T09:30:29,960   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz'
2025-08-31T09:30:29,962   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz'
2025-08-31T09:30:29,963   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz'
2025-08-31T09:30:29,964   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz'
2025-08-31T09:30:29,965   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz'
2025-08-31T09:30:29,966   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz'
2025-08-31T09:30:29,967   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz'
2025-08-31T09:30:29,968   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz'
2025-08-31T09:30:29,970   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz'
2025-08-31T09:30:29,971   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz'
2025-08-31T09:30:29,972   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz'
2025-08-31T09:30:29,973   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz'
2025-08-31T09:30:29,974   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz'
2025-08-31T09:30:29,975   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz'
2025-08-31T09:30:29,976   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz'
2025-08-31T09:30:29,978   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz'
2025-08-31T09:30:29,979   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz'
2025-08-31T09:30:29,980   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz'
2025-08-31T09:30:29,981   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz'
2025-08-31T09:30:29,982   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz'
2025-08-31T09:30:29,983   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz'
2025-08-31T09:30:29,984   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz'
2025-08-31T09:30:29,985   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz'
2025-08-31T09:30:29,987   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz'
2025-08-31T09:30:29,988   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz'
2025-08-31T09:30:29,989   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz'
2025-08-31T09:30:29,990   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz'
2025-08-31T09:30:29,991   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz'
2025-08-31T09:30:29,992   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz'
2025-08-31T09:30:29,993   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz'
2025-08-31T09:30:29,994   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz'
2025-08-31T09:30:29,995   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz'
2025-08-31T09:30:29,997   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz'
2025-08-31T09:30:29,998   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz'
2025-08-31T09:30:29,999   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz'
2025-08-31T09:30:30,000   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz'
2025-08-31T09:30:30,001   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz'
2025-08-31T09:30:30,002   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz'
2025-08-31T09:30:30,003   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz'
2025-08-31T09:30:30,005   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz'
2025-08-31T09:30:30,006   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz'
2025-08-31T09:30:30,007   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz'
2025-08-31T09:30:30,008   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz'
2025-08-31T09:30:30,009   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz'
2025-08-31T09:30:30,010   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz'
2025-08-31T09:30:30,011   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz'
2025-08-31T09:30:30,013   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz'
2025-08-31T09:30:30,014   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz'
2025-08-31T09:30:30,015   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz'
2025-08-31T09:30:30,016   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz'
2025-08-31T09:30:30,017   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz'
2025-08-31T09:30:30,018   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz'
2025-08-31T09:30:30,019   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz'
2025-08-31T09:30:30,020   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz'
2025-08-31T09:30:30,021   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz'
2025-08-31T09:30:30,022   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz'
2025-08-31T09:30:30,023   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz'
2025-08-31T09:30:30,024   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz'
2025-08-31T09:30:30,025   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz'
2025-08-31T09:30:30,027   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz'
2025-08-31T09:30:30,028   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz'
2025-08-31T09:30:30,029   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz'
2025-08-31T09:30:30,030   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz'
2025-08-31T09:30:30,031   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz'
2025-08-31T09:30:30,032   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz'
2025-08-31T09:30:30,033   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz'
2025-08-31T09:30:30,036   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz'
2025-08-31T09:30:30,037   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz'
2025-08-31T09:30:30,038   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz'
2025-08-31T09:30:30,040   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz'
2025-08-31T09:30:30,041   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz'
2025-08-31T09:30:30,042   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz'
2025-08-31T09:30:30,043   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz'
2025-08-31T09:30:30,045   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz'
2025-08-31T09:30:30,046   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz'
2025-08-31T09:30:30,047   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz'
2025-08-31T09:30:30,048   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz'
2025-08-31T09:30:30,049   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz'
2025-08-31T09:30:30,051   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz'
2025-08-31T09:30:30,052   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz'
2025-08-31T09:30:30,053   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz'
2025-08-31T09:30:30,054   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz'
2025-08-31T09:30:30,056   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz'
2025-08-31T09:30:30,057   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz'
2025-08-31T09:30:30,058   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz'
2025-08-31T09:30:30,059   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz'
2025-08-31T09:30:30,060   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz'
2025-08-31T09:30:30,062   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz'
2025-08-31T09:30:30,063   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz'
2025-08-31T09:30:30,064   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz'
2025-08-31T09:30:30,066   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz'
2025-08-31T09:30:30,067   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz'
2025-08-31T09:30:30,068   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz'
2025-08-31T09:30:30,069   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz'
2025-08-31T09:30:30,070   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz'
2025-08-31T09:30:30,071   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz'
2025-08-31T09:30:30,073   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz'
2025-08-31T09:30:30,074   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz'
2025-08-31T09:30:30,075   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz'
2025-08-31T09:30:30,076   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz'
2025-08-31T09:30:30,077   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz'
2025-08-31T09:30:30,079   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz'
2025-08-31T09:30:30,080   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz'
2025-08-31T09:30:30,081   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz'
2025-08-31T09:30:30,082   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz'
2025-08-31T09:30:30,083   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz'
2025-08-31T09:30:30,085   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz'
2025-08-31T09:30:30,086   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz'
2025-08-31T09:30:30,087   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz'
2025-08-31T09:30:30,088   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz'
2025-08-31T09:30:30,089   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz'
2025-08-31T09:30:30,091   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz'
2025-08-31T09:30:30,092   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz'
2025-08-31T09:30:30,093   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz'
2025-08-31T09:30:30,094   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz'
2025-08-31T09:30:30,096   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz'
2025-08-31T09:30:30,097   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz'
2025-08-31T09:30:30,098   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz'
2025-08-31T09:30:30,099   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz'
2025-08-31T09:30:30,101   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz'
2025-08-31T09:30:30,102   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz'
2025-08-31T09:30:30,103   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz'
2025-08-31T09:30:30,104   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz'
2025-08-31T09:30:30,106   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz'
2025-08-31T09:30:30,107   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz'
2025-08-31T09:30:30,108   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz'
2025-08-31T09:30:30,110   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz'
2025-08-31T09:30:30,111   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz'
2025-08-31T09:30:30,112   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz'
2025-08-31T09:30:30,113   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz'
2025-08-31T09:30:30,115   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz'
2025-08-31T09:30:30,116   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz'
2025-08-31T09:30:30,148   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz'
2025-08-31T09:30:30,149   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz'
2025-08-31T09:30:30,151   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz'
2025-08-31T09:30:30,152   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz'
2025-08-31T09:30:30,154   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz'
2025-08-31T09:30:30,155   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz'
2025-08-31T09:30:30,156   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz'
2025-08-31T09:30:30,158   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz'
2025-08-31T09:30:30,159   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz'
2025-08-31T09:30:30,160   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz'
2025-08-31T09:30:30,162   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,163   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,164   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,165   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,167   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,168   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,169   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,170   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,171   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,173   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,174   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,175   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,176   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,177   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,179   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,180   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,181   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,182   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,184   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,185   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,186   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz'
2025-08-31T09:30:30,187   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz'
2025-08-31T09:30:30,189   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz'
2025-08-31T09:30:30,190   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz'
2025-08-31T09:30:30,191   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz'
2025-08-31T09:30:30,193   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz'
2025-08-31T09:30:30,194   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz'
2025-08-31T09:30:30,195   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz'
2025-08-31T09:30:30,197   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz'
2025-08-31T09:30:30,198   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz'
2025-08-31T09:30:30,199   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,200   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,202   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,203   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,204   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,206   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,207   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,208   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,209   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,211   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,212   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,214   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,215   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,216   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,218   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,219   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,220   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,221   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,223   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,224   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,225   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz'
2025-08-31T09:30:30,226   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz'
2025-08-31T09:30:30,227   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz'
2025-08-31T09:30:30,229   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz'
2025-08-31T09:30:30,230   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz'
2025-08-31T09:30:30,231   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz'
2025-08-31T09:30:30,232   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz'
2025-08-31T09:30:30,234   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz'
2025-08-31T09:30:30,235   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz'
2025-08-31T09:30:30,236   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz'
2025-08-31T09:30:30,237   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz'
2025-08-31T09:30:30,239   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz'
2025-08-31T09:30:30,240   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz'
2025-08-31T09:30:30,241   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz'
2025-08-31T09:30:30,242   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz'
2025-08-31T09:30:30,243   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz'
2025-08-31T09:30:30,244   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz'
2025-08-31T09:30:30,245   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz'
2025-08-31T09:30:30,247   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz'
2025-08-31T09:30:30,248   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz'
2025-08-31T09:30:30,249   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,250   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,251   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,252   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,254   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,255   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,256   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,257   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,258   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,260   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,261   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,262   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,263   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,264   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,266   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,267   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,268   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,269   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,270   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,272   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,273   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz'
2025-08-31T09:30:30,274   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz'
2025-08-31T09:30:30,275   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz'
2025-08-31T09:30:30,277   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz'
2025-08-31T09:30:30,278   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz'
2025-08-31T09:30:30,279   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz'
2025-08-31T09:30:30,280   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz'
2025-08-31T09:30:30,282   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz'
2025-08-31T09:30:30,283   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz'
2025-08-31T09:30:30,284   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz'
2025-08-31T09:30:30,285   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz'
2025-08-31T09:30:30,286   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz'
2025-08-31T09:30:30,288   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz'
2025-08-31T09:30:30,289   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz'
2025-08-31T09:30:30,290   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz'
2025-08-31T09:30:30,291   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz'
2025-08-31T09:30:30,292   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz'
2025-08-31T09:30:30,294   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz'
2025-08-31T09:30:30,295   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz'
2025-08-31T09:30:30,296   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz'
2025-08-31T09:30:30,297   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,299   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,300   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,301   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,302   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,304   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,305   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,306   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,308   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,309   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,310   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,311   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,313   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,314   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,315   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,316   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,318   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,319   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,320   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,321   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,323   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz'
2025-08-31T09:30:30,324   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz'
2025-08-31T09:30:30,325   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz'
2025-08-31T09:30:30,326   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz'
2025-08-31T09:30:30,328   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz'
2025-08-31T09:30:30,329   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz'
2025-08-31T09:30:30,330   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz'
2025-08-31T09:30:30,332   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz'
2025-08-31T09:30:30,333   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz'
2025-08-31T09:30:30,334   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz'
2025-08-31T09:30:30,335   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz'
2025-08-31T09:30:30,337   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz'
2025-08-31T09:30:30,338   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz'
2025-08-31T09:30:30,339   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz'
2025-08-31T09:30:30,341   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz'
2025-08-31T09:30:30,342   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz'
2025-08-31T09:30:30,343   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz'
2025-08-31T09:30:30,345   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz'
2025-08-31T09:30:30,346   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz'
2025-08-31T09:30:30,348   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz'
2025-08-31T09:30:30,349   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz'
2025-08-31T09:30:30,350   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz'
2025-08-31T09:30:30,352   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz'
2025-08-31T09:30:30,353   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz'
2025-08-31T09:30:30,354   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz'
2025-08-31T09:30:30,356   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz'
2025-08-31T09:30:30,357   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz'
2025-08-31T09:30:30,359   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz'
2025-08-31T09:30:30,360   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz'
2025-08-31T09:30:30,362   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz'
2025-08-31T09:30:30,363   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz'
2025-08-31T09:30:30,365   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz'
2025-08-31T09:30:30,366   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz'
2025-08-31T09:30:30,367   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz'
2025-08-31T09:30:30,369   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz'
2025-08-31T09:30:30,370   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz'
2025-08-31T09:30:30,371   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz'
2025-08-31T09:30:30,372   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz'
2025-08-31T09:30:30,374   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz'
2025-08-31T09:30:30,375   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz'
2025-08-31T09:30:30,376   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz'
2025-08-31T09:30:30,378   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz'
2025-08-31T09:30:30,379   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz'
2025-08-31T09:30:30,380   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz'
2025-08-31T09:30:30,381   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz'
2025-08-31T09:30:30,382   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz'
2025-08-31T09:30:30,384   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz'
2025-08-31T09:30:30,385   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz'
2025-08-31T09:30:30,386   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz'
2025-08-31T09:30:30,387   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz'
2025-08-31T09:30:30,388   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,390   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,391   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,392   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,393   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,394   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,395   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,397   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,398   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,399   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,400   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,402   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,403   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,404   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,405   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,407   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,408   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,409   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,410   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,411   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,413   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz'
2025-08-31T09:30:30,414   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz'
2025-08-31T09:30:30,415   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz'
2025-08-31T09:30:30,416   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz'
2025-08-31T09:30:30,418   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz'
2025-08-31T09:30:30,419   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz'
2025-08-31T09:30:30,420   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz'
2025-08-31T09:30:30,422   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz'
2025-08-31T09:30:30,423   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz'
2025-08-31T09:30:30,424   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz'
2025-08-31T09:30:30,426   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz'
2025-08-31T09:30:30,427   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz'
2025-08-31T09:30:30,428   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz'
2025-08-31T09:30:30,429   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz'
2025-08-31T09:30:30,431   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz'
2025-08-31T09:30:30,432   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz'
2025-08-31T09:30:30,433   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz'
2025-08-31T09:30:30,435   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz'
2025-08-31T09:30:30,436   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz'
2025-08-31T09:30:30,438   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz'
2025-08-31T09:30:30,439   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,440   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,442   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,443   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,444   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,445   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,446   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,448   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,449   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,451   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,452   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,453   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,454   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,455   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,457   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,458   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,459   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,460   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,462   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,463   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,464   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,465   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,467   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,468   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,469   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,470   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,472   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,473   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,474   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,475   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,476   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,478   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,479   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,480   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,481   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,482   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,484   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,485   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,486   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,487   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,488   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,490   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,491   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,492   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,493   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,494   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,496   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,497   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,498   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,499   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,501   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:30:30,502   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:30:30,503   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:30:30,504   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:30:30,505   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:30:30,507   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:30:30,508   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:30:30,509   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:30:30,511   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:30:30,512   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:30:30,513   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz'
2025-08-31T09:30:30,514   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz'
2025-08-31T09:30:30,516   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz'
2025-08-31T09:30:30,517   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz'
2025-08-31T09:30:30,518   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz'
2025-08-31T09:30:30,519   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz'
2025-08-31T09:30:30,520   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz'
2025-08-31T09:30:30,522   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz'
2025-08-31T09:30:30,523   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz'
2025-08-31T09:30:30,524   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz'
2025-08-31T09:30:30,526   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz'
2025-08-31T09:30:30,527   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz'
2025-08-31T09:30:30,528   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz'
2025-08-31T09:30:30,529   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz'
2025-08-31T09:30:30,531   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz'
2025-08-31T09:30:30,532   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz'
2025-08-31T09:30:30,533   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz'
2025-08-31T09:30:30,534   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz'
2025-08-31T09:30:30,536   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz'
2025-08-31T09:30:30,537   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz'
2025-08-31T09:30:30,538   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz'
2025-08-31T09:30:30,539   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz'
2025-08-31T09:30:30,541   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz'
2025-08-31T09:30:30,542   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz'
2025-08-31T09:30:30,543   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz'
2025-08-31T09:30:30,545   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz'
2025-08-31T09:30:30,546   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz'
2025-08-31T09:30:30,547   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz'
2025-08-31T09:30:30,548   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz'
2025-08-31T09:30:30,550   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz'
2025-08-31T09:30:30,551   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz'
2025-08-31T09:30:30,552   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz'
2025-08-31T09:30:30,553   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz'
2025-08-31T09:30:30,555   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz'
2025-08-31T09:30:30,556   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz'
2025-08-31T09:30:30,557   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz'
2025-08-31T09:30:30,558   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz'
2025-08-31T09:30:30,559   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz'
2025-08-31T09:30:30,561   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz'
2025-08-31T09:30:30,562   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz'
2025-08-31T09:30:30,563   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,565   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,566   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,567   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,568   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,569   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,570   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,572   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,573   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,574   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,576   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,577   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,578   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,580   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,581   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,582   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,583   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,585   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,586   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,587   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,589   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,590   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,591   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,592   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,594   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,595   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,597   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,598   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,599   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,601   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,602   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,604   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,605   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,606   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,607   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,609   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,610   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,611   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,612   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,614   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,615   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,616   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,618   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,619   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,620   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,622   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,623   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,624   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,625   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,627   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,628   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,629   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,630   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,632   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,633   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,634   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,636   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,637   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,638   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,640   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,641   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,643   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,644   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,646   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,647   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,648   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,650   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,651   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,653   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,654   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,656   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,657   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,658   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,660   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,661   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,662   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,664   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,665   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,666   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,667   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,669   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,670   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,671   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,672   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,674   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,675   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,676   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,677   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,679   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,680   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,681   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,683   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,685   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,686   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,688   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,690   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,691   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,692   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,694   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,695   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,697   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,698   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,699   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,700   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,702   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,703   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,704   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,705   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,706   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,708   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,709   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,710   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,711   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,712   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,713   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,715   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,716   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,717   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,718   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,719   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,721   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz'
2025-08-31T09:30:30,722   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz'
2025-08-31T09:30:30,723   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz'
2025-08-31T09:30:30,724   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz'
2025-08-31T09:30:30,726   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz'
2025-08-31T09:30:30,727   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz'
2025-08-31T09:30:30,728   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz'
2025-08-31T09:30:30,729   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz'
2025-08-31T09:30:30,731   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz'
2025-08-31T09:30:30,732   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz'
2025-08-31T09:30:30,733   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz'
2025-08-31T09:30:30,734   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz'
2025-08-31T09:30:30,736   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz'
2025-08-31T09:30:30,737   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz'
2025-08-31T09:30:30,738   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz'
2025-08-31T09:30:30,740   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz'
2025-08-31T09:30:30,741   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz'
2025-08-31T09:30:30,743   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz'
2025-08-31T09:30:30,744   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz'
2025-08-31T09:30:30,745   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz'
2025-08-31T09:30:30,747   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz'
2025-08-31T09:30:30,748   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz'
2025-08-31T09:30:30,749   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz'
2025-08-31T09:30:30,750   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz'
2025-08-31T09:30:30,752   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz'
2025-08-31T09:30:30,753   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz'
2025-08-31T09:30:30,754   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz'
2025-08-31T09:30:30,755   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz'
2025-08-31T09:30:30,757   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz'
2025-08-31T09:30:30,758   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz'
2025-08-31T09:30:30,759   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz'
2025-08-31T09:30:30,761   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz'
2025-08-31T09:30:30,762   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz'
2025-08-31T09:30:30,764   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz'
2025-08-31T09:30:30,765   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz'
2025-08-31T09:30:30,766   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz'
2025-08-31T09:30:30,768   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz'
2025-08-31T09:30:30,769   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz'
2025-08-31T09:30:30,771   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz'
2025-08-31T09:30:30,772   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz'
2025-08-31T09:30:30,774   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,775   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,776   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,778   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,779   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,780   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,781   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,784   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,785   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,787   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,789   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz'
2025-08-31T09:30:30,791   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz'
2025-08-31T09:30:30,792   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz'
2025-08-31T09:30:30,794   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz'
2025-08-31T09:30:30,796   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz'
2025-08-31T09:30:30,798   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz'
2025-08-31T09:30:30,800   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz'
2025-08-31T09:30:30,802   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz'
2025-08-31T09:30:30,803   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz'
2025-08-31T09:30:30,805   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz'
2025-08-31T09:30:30,806   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,807   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,809   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,811   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,813   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,815   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,817   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,819   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,820   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,822   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,824   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,825   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,827   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,828   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,829   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,831   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,832   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,834   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,835   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,837   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,838   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,839   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,841   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,842   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,844   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,845   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,847   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,848   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,849   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,850   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,852   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,853   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,855   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,856   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,858   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,860   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,862   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,863   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,865   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,866   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,868   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,869   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,870   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,872   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,873   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,875   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,876   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,878   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,879   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,880   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,882   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,883   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,884   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,886   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,887   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,888   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,890   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,891   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,892   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,894   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,895   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz'
2025-08-31T09:30:30,896   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz'
2025-08-31T09:30:30,898   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz'
2025-08-31T09:30:30,899   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz'
2025-08-31T09:30:30,901   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz'
2025-08-31T09:30:30,902   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz'
2025-08-31T09:30:30,903   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz'
2025-08-31T09:30:30,904   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz'
2025-08-31T09:30:30,906   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz'
2025-08-31T09:30:30,907   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz'
2025-08-31T09:30:30,908   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz'
2025-08-31T09:30:30,909   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz'
2025-08-31T09:30:30,910   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz'
2025-08-31T09:30:30,912   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz'
2025-08-31T09:30:30,913   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz'
2025-08-31T09:30:30,914   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz'
2025-08-31T09:30:30,915   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz'
2025-08-31T09:30:30,916   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz'
2025-08-31T09:30:30,918   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz'
2025-08-31T09:30:30,919   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz'
2025-08-31T09:30:30,920   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:30:30,922   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:30:30,923   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:30:30,924   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:30:30,925   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:30:30,927   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:30:30,928   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:30:30,929   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:30:30,930   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:30:30,932   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:30:30,933   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,934   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,936   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,937   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,938   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,940   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,941   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,942   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,944   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,945   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,946   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz'
2025-08-31T09:30:30,948   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz'
2025-08-31T09:30:30,949   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz'
2025-08-31T09:30:30,950   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz'
2025-08-31T09:30:30,952   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz'
2025-08-31T09:30:30,953   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz'
2025-08-31T09:30:30,954   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz'
2025-08-31T09:30:30,956   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz'
2025-08-31T09:30:30,957   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz'
2025-08-31T09:30:30,958   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz'
2025-08-31T09:30:30,959   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz'
2025-08-31T09:30:30,961   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz'
2025-08-31T09:30:30,962   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz'
2025-08-31T09:30:30,963   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz'
2025-08-31T09:30:30,964   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz'
2025-08-31T09:30:30,965   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz'
2025-08-31T09:30:30,967   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz'
2025-08-31T09:30:30,968   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz'
2025-08-31T09:30:30,969   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz'
2025-08-31T09:30:30,971   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz'
2025-08-31T09:30:30,972   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz'
2025-08-31T09:30:30,973   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz'
2025-08-31T09:30:30,974   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz'
2025-08-31T09:30:30,976   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz'
2025-08-31T09:30:30,977   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz'
2025-08-31T09:30:30,978   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz'
2025-08-31T09:30:30,980   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz'
2025-08-31T09:30:30,981   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz'
2025-08-31T09:30:30,982   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz'
2025-08-31T09:30:30,984   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz'
2025-08-31T09:30:30,985   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz'
2025-08-31T09:30:30,986   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz'
2025-08-31T09:30:30,987   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz'
2025-08-31T09:30:30,989   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz'
2025-08-31T09:30:30,990   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz'
2025-08-31T09:30:30,991   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz'
2025-08-31T09:30:30,993   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz'
2025-08-31T09:30:30,994   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz'
2025-08-31T09:30:30,995   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz'
2025-08-31T09:30:30,997   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz'
2025-08-31T09:30:30,998   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz'
2025-08-31T09:30:30,999   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz'
2025-08-31T09:30:31,001   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz'
2025-08-31T09:30:31,002   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz'
2025-08-31T09:30:31,003   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz'
2025-08-31T09:30:31,005   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz'
2025-08-31T09:30:31,006   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz'
2025-08-31T09:30:31,007   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz'
2025-08-31T09:30:31,009   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz'
2025-08-31T09:30:31,010   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz'
2025-08-31T09:30:31,012   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:30:31,013   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz'
2025-08-31T09:30:31,014   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz'
2025-08-31T09:30:31,016   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz'
2025-08-31T09:30:31,017   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz'
2025-08-31T09:30:31,018   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz'
2025-08-31T09:30:31,019   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz'
2025-08-31T09:30:31,020   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz'
2025-08-31T09:30:31,021   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz'
2025-08-31T09:30:31,023   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz'
2025-08-31T09:30:31,024   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz'
2025-08-31T09:30:31,025   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz'
2025-08-31T09:30:31,026   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz'
2025-08-31T09:30:31,028   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz'
2025-08-31T09:30:31,029   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz'
2025-08-31T09:30:31,030   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz'
2025-08-31T09:30:31,031   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz'
2025-08-31T09:30:31,032   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz'
2025-08-31T09:30:31,034   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz'
2025-08-31T09:30:31,035   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz'
2025-08-31T09:30:31,036   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz'
2025-08-31T09:30:31,039   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz'
2025-08-31T09:30:31,040   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz'
2025-08-31T09:30:31,041   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz'
2025-08-31T09:30:31,043   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz'
2025-08-31T09:30:31,044   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz'
2025-08-31T09:30:31,046   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz'
2025-08-31T09:30:31,047   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz'
2025-08-31T09:30:31,048   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz'
2025-08-31T09:30:31,050   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz'
2025-08-31T09:30:31,051   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz'
2025-08-31T09:30:31,052   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz'
2025-08-31T09:30:31,054   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz'
2025-08-31T09:30:31,055   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz'
2025-08-31T09:30:31,057   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz'
2025-08-31T09:30:31,058   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz'
2025-08-31T09:30:31,060   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz'
2025-08-31T09:30:31,061   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz'
2025-08-31T09:30:31,063   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz'
2025-08-31T09:30:31,064   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz'
2025-08-31T09:30:31,065   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz'
2025-08-31T09:30:31,067   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz'
2025-08-31T09:30:31,069   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz'
2025-08-31T09:30:31,071   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz'
2025-08-31T09:30:31,074   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz'
2025-08-31T09:30:31,076   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz'
2025-08-31T09:30:31,078   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz'
2025-08-31T09:30:31,079   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz'
2025-08-31T09:30:31,081   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz'
2025-08-31T09:30:31,082   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz'
2025-08-31T09:30:31,084   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz'
2025-08-31T09:30:31,085   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz'
2025-08-31T09:30:31,086   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz'
2025-08-31T09:30:31,089   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz'
2025-08-31T09:30:31,090   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz'
2025-08-31T09:30:31,091   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz'
2025-08-31T09:30:31,093   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz'
2025-08-31T09:30:31,094   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz'
2025-08-31T09:30:31,096   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz'
2025-08-31T09:30:31,097   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz'
2025-08-31T09:30:31,098   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz'
2025-08-31T09:30:31,100   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz'
2025-08-31T09:30:31,101   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz'
2025-08-31T09:30:31,103   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz'
2025-08-31T09:30:31,104   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz'
2025-08-31T09:30:31,106   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz'
2025-08-31T09:30:31,108   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz'
2025-08-31T09:30:31,109   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz'
2025-08-31T09:30:31,111   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz'
2025-08-31T09:30:31,112   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz'
2025-08-31T09:30:31,114   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz'
2025-08-31T09:30:31,116   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz'
2025-08-31T09:30:31,117   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz'
2025-08-31T09:30:31,119   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz'
2025-08-31T09:30:31,121   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz'
2025-08-31T09:30:31,122   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz'
2025-08-31T09:30:31,123   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz'
2025-08-31T09:30:31,125   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz'
2025-08-31T09:30:31,127   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz'
2025-08-31T09:30:31,128   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz'
2025-08-31T09:30:31,129   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz'
2025-08-31T09:30:31,131   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz'
2025-08-31T09:30:31,132   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz'
2025-08-31T09:30:31,133   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz'
2025-08-31T09:30:31,135   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz'
2025-08-31T09:30:31,137   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz'
2025-08-31T09:30:31,138   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz'
2025-08-31T09:30:31,140   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz'
2025-08-31T09:30:31,141   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz'
2025-08-31T09:30:31,142   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz'
2025-08-31T09:30:31,144   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz'
2025-08-31T09:30:31,145   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz'
2025-08-31T09:30:31,146   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz'
2025-08-31T09:30:31,148   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz'
2025-08-31T09:30:31,149   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz'
2025-08-31T09:30:31,150   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz'
2025-08-31T09:30:31,152   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz'
2025-08-31T09:30:31,153   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz'
2025-08-31T09:30:31,154   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz'
2025-08-31T09:30:31,156   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz'
2025-08-31T09:30:31,157   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz'
2025-08-31T09:30:31,158   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz'
2025-08-31T09:30:31,161   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz'
2025-08-31T09:30:31,162   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz'
2025-08-31T09:30:31,163   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz'
2025-08-31T09:30:31,165   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz'
2025-08-31T09:30:31,166   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz'
2025-08-31T09:30:31,167   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz'
2025-08-31T09:30:31,169   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz'
2025-08-31T09:30:31,170   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz'
2025-08-31T09:30:31,171   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz'
2025-08-31T09:30:31,173   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz'
2025-08-31T09:30:31,174   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz'
2025-08-31T09:30:31,175   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz'
2025-08-31T09:30:31,176   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz'
2025-08-31T09:30:31,178   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz'
2025-08-31T09:30:31,179   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz'
2025-08-31T09:30:31,181   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz'
2025-08-31T09:30:31,183   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz'
2025-08-31T09:30:31,184   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz'
2025-08-31T09:30:31,186   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz'
2025-08-31T09:30:31,187   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz'
2025-08-31T09:30:31,188   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz'
2025-08-31T09:30:31,189   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz'
2025-08-31T09:30:31,191   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz'
2025-08-31T09:30:31,192   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz'
2025-08-31T09:30:31,193   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz'
2025-08-31T09:30:31,194   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz'
2025-08-31T09:30:31,196   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz'
2025-08-31T09:30:31,197   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz'
2025-08-31T09:30:31,198   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz'
2025-08-31T09:30:31,199   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz'
2025-08-31T09:30:31,201   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz'
2025-08-31T09:30:31,202   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz'
2025-08-31T09:30:31,204   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz'
2025-08-31T09:30:31,205   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz'
2025-08-31T09:30:31,206   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz'
2025-08-31T09:30:31,208   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz'
2025-08-31T09:30:31,209   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz'
2025-08-31T09:30:31,211   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz'
2025-08-31T09:30:31,213   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz'
2025-08-31T09:30:31,217   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz'
2025-08-31T09:30:31,219   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz'
2025-08-31T09:30:31,221   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz'
2025-08-31T09:30:31,223   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz'
2025-08-31T09:30:31,225   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz'
2025-08-31T09:30:31,227   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz'
2025-08-31T09:30:31,230   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz'
2025-08-31T09:30:31,232   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz'
2025-08-31T09:30:31,235   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz'
2025-08-31T09:30:31,237   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz'
2025-08-31T09:30:31,239   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz'
2025-08-31T09:30:31,241   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz'
2025-08-31T09:30:31,243   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz'
2025-08-31T09:30:31,245   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz'
2025-08-31T09:30:31,247   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz'
2025-08-31T09:30:31,249   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz'
2025-08-31T09:30:31,251   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz'
2025-08-31T09:30:31,254   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz'
2025-08-31T09:30:31,255   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz'
2025-08-31T09:30:31,257   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz'
2025-08-31T09:30:31,259   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz'
2025-08-31T09:30:31,261   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz'
2025-08-31T09:30:31,262   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz'
2025-08-31T09:30:31,264   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz'
2025-08-31T09:30:31,266   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz'
2025-08-31T09:30:31,268   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz'
2025-08-31T09:30:31,270   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz'
2025-08-31T09:30:31,272   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz'
2025-08-31T09:30:31,275   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz'
2025-08-31T09:30:31,277   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz'
2025-08-31T09:30:31,279   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz'
2025-08-31T09:30:31,281   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz'
2025-08-31T09:30:31,283   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz'
2025-08-31T09:30:31,285   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz'
2025-08-31T09:30:31,286   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz'
2025-08-31T09:30:31,287   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz'
2025-08-31T09:30:31,289   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz'
2025-08-31T09:30:31,290   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz'
2025-08-31T09:30:31,291   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz'
2025-08-31T09:30:31,294   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz'
2025-08-31T09:30:31,295   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz'
2025-08-31T09:30:31,296   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz'
2025-08-31T09:30:31,297   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz'
2025-08-31T09:30:31,299   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz'
2025-08-31T09:30:31,300   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz'
2025-08-31T09:30:31,301   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz'
2025-08-31T09:30:31,302   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz'
2025-08-31T09:30:31,303   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz'
2025-08-31T09:30:31,305   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz'
2025-08-31T09:30:31,306   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz'
2025-08-31T09:30:31,307   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz'
2025-08-31T09:30:31,309   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz'
2025-08-31T09:30:31,310   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz'
2025-08-31T09:30:31,311   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz'
2025-08-31T09:30:31,312   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz'
2025-08-31T09:30:31,314   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz'
2025-08-31T09:30:31,315   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz'
2025-08-31T09:30:31,316   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz'
2025-08-31T09:30:31,317   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz'
2025-08-31T09:30:31,318   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz'
2025-08-31T09:30:31,320   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz'
2025-08-31T09:30:31,321   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz'
2025-08-31T09:30:31,322   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz'
2025-08-31T09:30:31,323   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz'
2025-08-31T09:30:31,324   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz'
2025-08-31T09:30:31,326   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz'
2025-08-31T09:30:31,327   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz'
2025-08-31T09:30:31,328   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz'
2025-08-31T09:30:31,329   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz'
2025-08-31T09:30:31,330   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz'
2025-08-31T09:30:31,331   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz'
2025-08-31T09:30:31,333   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz'
2025-08-31T09:30:31,334   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz'
2025-08-31T09:30:31,335   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz'
2025-08-31T09:30:31,336   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz'
2025-08-31T09:30:31,338   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz'
2025-08-31T09:30:31,339   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz'
2025-08-31T09:30:31,340   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz'
2025-08-31T09:30:31,341   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz'
2025-08-31T09:30:31,343   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz'
2025-08-31T09:30:31,344   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz'
2025-08-31T09:30:31,345   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz'
2025-08-31T09:30:31,346   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz'
2025-08-31T09:30:31,348   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz'
2025-08-31T09:30:31,350   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz'
2025-08-31T09:30:31,351   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz'
2025-08-31T09:30:31,352   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz'
2025-08-31T09:30:31,353   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz'
2025-08-31T09:30:31,355   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz'
2025-08-31T09:30:31,356   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz'
2025-08-31T09:30:31,357   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz'
2025-08-31T09:30:31,359   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz'
2025-08-31T09:30:31,360   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz'
2025-08-31T09:30:31,361   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz'
2025-08-31T09:30:31,362   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz'
2025-08-31T09:30:31,364   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz'
2025-08-31T09:30:31,365   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz'
2025-08-31T09:30:31,367   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz'
2025-08-31T09:30:31,368   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz'
2025-08-31T09:30:31,369   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz'
2025-08-31T09:30:31,371   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz'
2025-08-31T09:30:31,372   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz'
2025-08-31T09:30:31,373   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz'
2025-08-31T09:30:31,374   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz'
2025-08-31T09:30:31,376   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz'
2025-08-31T09:30:31,377   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz'
2025-08-31T09:30:31,378   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz'
2025-08-31T09:30:31,379   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz'
2025-08-31T09:30:31,380   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz'
2025-08-31T09:30:31,381   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz'
2025-08-31T09:30:31,383   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz'
2025-08-31T09:30:31,387   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:30:31,389   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz'
2025-08-31T09:30:31,390   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz'
2025-08-31T09:30:31,391   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz'
2025-08-31T09:30:31,392   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz'
2025-08-31T09:30:31,393   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz'
2025-08-31T09:30:31,395   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz'
2025-08-31T09:30:31,396   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz'
2025-08-31T09:30:31,397   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz'
2025-08-31T09:30:31,398   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz'
2025-08-31T09:30:31,399   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz'
2025-08-31T09:30:31,401   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz'
2025-08-31T09:30:31,402   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz'
2025-08-31T09:30:31,403   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz'
2025-08-31T09:30:31,404   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz'
2025-08-31T09:30:31,406   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz'
2025-08-31T09:30:31,407   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz'
2025-08-31T09:30:31,408   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz'
2025-08-31T09:30:31,409   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz'
2025-08-31T09:30:31,411   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz'
2025-08-31T09:30:31,412   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz'
2025-08-31T09:30:31,413   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz'
2025-08-31T09:30:31,414   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz'
2025-08-31T09:30:31,415   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz'
2025-08-31T09:30:31,416   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz'
2025-08-31T09:30:31,418   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz'
2025-08-31T09:30:31,419   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz'
2025-08-31T09:30:31,420   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz'
2025-08-31T09:30:31,421   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz'
2025-08-31T09:30:31,422   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz'
2025-08-31T09:30:31,423   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz'
2025-08-31T09:30:31,425   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz'
2025-08-31T09:30:31,426   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz'
2025-08-31T09:30:31,427   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz'
2025-08-31T09:30:31,428   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz'
2025-08-31T09:30:31,429   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz'
2025-08-31T09:30:31,430   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz'
2025-08-31T09:30:31,431   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz'
2025-08-31T09:30:31,432   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz'
2025-08-31T09:30:31,433   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz'
2025-08-31T09:30:31,435   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz'
2025-08-31T09:30:31,436   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz'
2025-08-31T09:30:31,437   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz'
2025-08-31T09:30:31,438   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz'
2025-08-31T09:30:31,439   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz'
2025-08-31T09:30:31,440   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz'
2025-08-31T09:30:31,441   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz'
2025-08-31T09:30:31,442   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz'
2025-08-31T09:30:31,443   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz'
2025-08-31T09:30:31,444   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz'
2025-08-31T09:30:31,446   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz'
2025-08-31T09:30:31,447   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz'
2025-08-31T09:30:31,448   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz'
2025-08-31T09:30:31,449   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz'
2025-08-31T09:30:31,450   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz'
2025-08-31T09:30:31,451   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz'
2025-08-31T09:30:31,453   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz'
2025-08-31T09:30:31,454   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz'
2025-08-31T09:30:31,455   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz'
2025-08-31T09:30:31,456   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz'
2025-08-31T09:30:31,457   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz'
2025-08-31T09:30:31,459   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz'
2025-08-31T09:30:31,460   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz'
2025-08-31T09:30:31,461   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz'
2025-08-31T09:30:31,462   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz'
2025-08-31T09:30:31,463   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz'
2025-08-31T09:30:31,464   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz'
2025-08-31T09:30:31,466   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz'
2025-08-31T09:30:31,467   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz'
2025-08-31T09:30:31,468   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz'
2025-08-31T09:30:31,469   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz'
2025-08-31T09:30:31,470   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz'
2025-08-31T09:30:31,471   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz'
2025-08-31T09:30:31,473   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz'
2025-08-31T09:30:31,474   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz'
2025-08-31T09:30:31,475   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz'
2025-08-31T09:30:31,476   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz'
2025-08-31T09:30:31,477   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz'
2025-08-31T09:30:31,478   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz'
2025-08-31T09:30:31,479   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz'
2025-08-31T09:30:31,481   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz'
2025-08-31T09:30:31,482   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz'
2025-08-31T09:30:31,483   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz'
2025-08-31T09:30:31,484   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz'
2025-08-31T09:30:31,485   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz'
2025-08-31T09:30:31,486   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz'
2025-08-31T09:30:31,487   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz'
2025-08-31T09:30:31,488   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz'
2025-08-31T09:30:31,490   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz'
2025-08-31T09:30:31,491   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz'
2025-08-31T09:30:31,492   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz'
2025-08-31T09:30:31,493   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz'
2025-08-31T09:30:31,494   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz'
2025-08-31T09:30:31,495   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz'
2025-08-31T09:30:31,496   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz'
2025-08-31T09:30:31,498   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz'
2025-08-31T09:30:31,499   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz'
2025-08-31T09:30:31,500   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz'
2025-08-31T09:30:31,501   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz'
2025-08-31T09:30:31,502   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz'
2025-08-31T09:30:31,503   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz'
2025-08-31T09:30:31,504   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz'
2025-08-31T09:30:31,506   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz'
2025-08-31T09:30:31,507   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz'
2025-08-31T09:30:31,508   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz'
2025-08-31T09:30:31,509   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz'
2025-08-31T09:30:31,510   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz'
2025-08-31T09:30:31,511   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz'
2025-08-31T09:30:31,513   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz'
2025-08-31T09:30:31,514   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz'
2025-08-31T09:30:31,515   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz'
2025-08-31T09:30:31,516   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz'
2025-08-31T09:30:31,517   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz'
2025-08-31T09:30:31,518   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz'
2025-08-31T09:30:31,520   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz'
2025-08-31T09:30:31,521   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz'
2025-08-31T09:30:31,522   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz'
2025-08-31T09:30:31,523   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz'
2025-08-31T09:30:31,525   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz'
2025-08-31T09:30:31,526   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz'
2025-08-31T09:30:31,527   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz'
2025-08-31T09:30:31,528   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz'
2025-08-31T09:30:31,529   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz'
2025-08-31T09:30:31,531   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz'
2025-08-31T09:30:31,532   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz'
2025-08-31T09:30:31,533   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz'
2025-08-31T09:30:31,534   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz'
2025-08-31T09:30:31,535   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz'
2025-08-31T09:30:31,536   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz'
2025-08-31T09:30:31,537   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz'
2025-08-31T09:30:31,539   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz'
2025-08-31T09:30:31,540   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz'
2025-08-31T09:30:31,541   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz'
2025-08-31T09:30:31,542   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz'
2025-08-31T09:30:31,543   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz'
2025-08-31T09:30:31,545   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz'
2025-08-31T09:30:31,546   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz'
2025-08-31T09:30:31,547   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz'
2025-08-31T09:30:31,548   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz'
2025-08-31T09:30:31,549   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz'
2025-08-31T09:30:31,551   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz'
2025-08-31T09:30:31,552   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz'
2025-08-31T09:30:31,553   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz'
2025-08-31T09:30:31,554   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz'
2025-08-31T09:30:31,555   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz'
2025-08-31T09:30:31,557   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz'
2025-08-31T09:30:31,558   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz'
2025-08-31T09:30:31,559   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz'
2025-08-31T09:30:31,560   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz'
2025-08-31T09:30:31,562   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz'
2025-08-31T09:30:31,563   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz'
2025-08-31T09:30:31,564   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz'
2025-08-31T09:30:31,566   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz'
2025-08-31T09:30:31,568   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz'
2025-08-31T09:30:31,569   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz'
2025-08-31T09:30:31,570   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz'
2025-08-31T09:30:31,572   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz'
2025-08-31T09:30:31,573   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz'
2025-08-31T09:30:31,574   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz'
2025-08-31T09:30:31,575   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz'
2025-08-31T09:30:31,576   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz'
2025-08-31T09:30:31,578   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz'
2025-08-31T09:30:31,579   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz'
2025-08-31T09:30:31,581   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz'
2025-08-31T09:30:31,582   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz'
2025-08-31T09:30:31,583   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz'
2025-08-31T09:30:31,584   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz'
2025-08-31T09:30:31,586   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz'
2025-08-31T09:30:31,587   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz'
2025-08-31T09:30:31,588   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz'
2025-08-31T09:30:31,589   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz'
2025-08-31T09:30:31,591   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz'
2025-08-31T09:30:31,592   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz'
2025-08-31T09:30:31,593   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz'
2025-08-31T09:30:31,594   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz'
2025-08-31T09:30:31,596   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz'
2025-08-31T09:30:31,597   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz'
2025-08-31T09:30:31,598   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz'
2025-08-31T09:30:31,601   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,602   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,603   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,604   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,606   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,607   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,608   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,609   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,611   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz'
2025-08-31T09:30:31,612   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,613   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,614   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,615   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,617   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,618   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,619   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,621   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,622   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz'
2025-08-31T09:30:31,623   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,624   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,625   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,627   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,628   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,629   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,630   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,632   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,633   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz'
2025-08-31T09:30:31,634   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,635   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,636   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,637   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,639   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,640   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,641   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz'
2025-08-31T09:30:31,642   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz'
2025-08-31T09:30:31,644   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz'
2025-08-31T09:30:31,645   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz'
2025-08-31T09:30:31,646   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz'
2025-08-31T09:30:31,647   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz'
2025-08-31T09:30:31,648   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz'
2025-08-31T09:30:31,650   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz'
2025-08-31T09:30:31,651   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz'
2025-08-31T09:30:31,652   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz'
2025-08-31T09:30:31,654   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,655   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,656   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,657   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,658   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,660   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz'
2025-08-31T09:30:31,661   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz'
2025-08-31T09:30:31,662   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz'
2025-08-31T09:30:31,663   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz'
2025-08-31T09:30:31,664   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz'
2025-08-31T09:30:31,666   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz'
2025-08-31T09:30:31,667   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz'
2025-08-31T09:30:31,670   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz'
2025-08-31T09:30:31,672   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz'
2025-08-31T09:30:31,673   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz'
2025-08-31T09:30:31,674   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz'
2025-08-31T09:30:31,675   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz'
2025-08-31T09:30:31,676   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz'
2025-08-31T09:30:31,678   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz'
2025-08-31T09:30:31,679   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz'
2025-08-31T09:30:31,680   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz'
2025-08-31T09:30:31,681   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz'
2025-08-31T09:30:31,683   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz'
2025-08-31T09:30:31,684   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz'
2025-08-31T09:30:31,685   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz'
2025-08-31T09:30:31,686   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz'
2025-08-31T09:30:31,688   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz'
2025-08-31T09:30:31,689   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz'
2025-08-31T09:30:31,690   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz'
2025-08-31T09:30:31,691   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz'
2025-08-31T09:30:31,693   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz'
2025-08-31T09:30:31,694   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz'
2025-08-31T09:30:31,695   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz'
2025-08-31T09:30:31,696   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz'
2025-08-31T09:30:31,697   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz'
2025-08-31T09:30:31,699   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz'
2025-08-31T09:30:31,700   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz'
2025-08-31T09:30:31,701   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz'
2025-08-31T09:30:31,702   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz'
2025-08-31T09:30:31,704   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz'
2025-08-31T09:30:31,705   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz'
2025-08-31T09:30:31,706   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz'
2025-08-31T09:30:31,708   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz'
2025-08-31T09:30:31,709   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz'
2025-08-31T09:30:31,710   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz'
2025-08-31T09:30:31,711   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:30:31,713   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:30:31,714   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:30:31,715   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:30:31,717   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:30:31,718   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:30:31,720   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:30:31,722   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:30:31,724   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:30:31,725   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:30:31,727   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:30:31,728   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:30:31,729   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz'
2025-08-31T09:30:31,731   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz'
2025-08-31T09:30:31,733   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz'
2025-08-31T09:30:31,734   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz'
2025-08-31T09:30:31,735   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz'
2025-08-31T09:30:31,737   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz'
2025-08-31T09:30:31,738   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz'
2025-08-31T09:30:31,740   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz'
2025-08-31T09:30:31,742   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz'
2025-08-31T09:30:31,745   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz'
2025-08-31T09:30:31,747   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz'
2025-08-31T09:30:31,749   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz'
2025-08-31T09:30:31,751   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz'
2025-08-31T09:30:31,754   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz'
2025-08-31T09:30:31,756   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz'
2025-08-31T09:30:31,758   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz'
2025-08-31T09:30:31,760   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz'
2025-08-31T09:30:31,762   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz'
2025-08-31T09:30:31,765   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz'
2025-08-31T09:30:31,767   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz'
2025-08-31T09:30:31,769   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz'
2025-08-31T09:30:31,772   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz'
2025-08-31T09:30:31,774   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz'
2025-08-31T09:30:31,777   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz'
2025-08-31T09:30:31,780   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz'
2025-08-31T09:30:31,994   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz'
2025-08-31T09:30:31,997   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz'
2025-08-31T09:30:31,999   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz'
2025-08-31T09:30:32,001   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz'
2025-08-31T09:30:32,004   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz'
2025-08-31T09:30:32,006   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz'
2025-08-31T09:30:32,008   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz'
2025-08-31T09:30:32,011   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz'
2025-08-31T09:30:32,013   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz'
2025-08-31T09:30:32,015   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz'
2025-08-31T09:30:32,017   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz'
2025-08-31T09:30:32,019   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz'
2025-08-31T09:30:32,020   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz'
2025-08-31T09:30:32,021   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz'
2025-08-31T09:30:32,022   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz'
2025-08-31T09:30:32,023   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz'
2025-08-31T09:30:32,025   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz'
2025-08-31T09:30:32,026   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz'
2025-08-31T09:30:32,027   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz'
2025-08-31T09:30:32,028   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz'
2025-08-31T09:30:32,029   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz'
2025-08-31T09:30:32,030   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz'
2025-08-31T09:30:32,032   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz'
2025-08-31T09:30:32,034   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz'
2025-08-31T09:30:32,035   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz'
2025-08-31T09:30:32,036   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz'
2025-08-31T09:30:32,037   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz'
2025-08-31T09:30:32,038   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz'
2025-08-31T09:30:32,039   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz'
2025-08-31T09:30:32,040   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz'
2025-08-31T09:30:32,041   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz'
2025-08-31T09:30:32,043   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz'
2025-08-31T09:30:32,044   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz'
2025-08-31T09:30:32,045   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz'
2025-08-31T09:30:32,046   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz'
2025-08-31T09:30:32,047   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz'
2025-08-31T09:30:32,048   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz'
2025-08-31T09:30:32,050   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz'
2025-08-31T09:30:32,052   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz'
2025-08-31T09:30:32,053   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz'
2025-08-31T09:30:32,054   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz'
2025-08-31T09:30:32,056   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz'
2025-08-31T09:30:32,057   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz'
2025-08-31T09:30:32,058   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz'
2025-08-31T09:30:32,060   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz'
2025-08-31T09:30:32,061   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz'
2025-08-31T09:30:32,062   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz'
2025-08-31T09:30:32,063   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz'
2025-08-31T09:30:32,065   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz'
2025-08-31T09:30:32,066   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz'
2025-08-31T09:30:32,067   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz'
2025-08-31T09:30:32,069   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz'
2025-08-31T09:30:32,070   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz'
2025-08-31T09:30:32,071   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz'
2025-08-31T09:30:32,072   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz'
2025-08-31T09:30:32,074   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz'
2025-08-31T09:30:32,075   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz'
2025-08-31T09:30:32,076   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz'
2025-08-31T09:30:32,077   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz'
2025-08-31T09:30:32,079   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz'
2025-08-31T09:30:32,080   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz'
2025-08-31T09:30:32,081   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz'
2025-08-31T09:30:32,082   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz'
2025-08-31T09:30:32,083   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz'
2025-08-31T09:30:32,085   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz'
2025-08-31T09:30:32,086   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz'
2025-08-31T09:30:32,087   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz'
2025-08-31T09:30:32,088   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz'
2025-08-31T09:30:32,089   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz'
2025-08-31T09:30:32,091   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz'
2025-08-31T09:30:32,092   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz'
2025-08-31T09:30:32,093   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz'
2025-08-31T09:30:32,105   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz'
2025-08-31T09:30:32,106   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz'
2025-08-31T09:30:32,108   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz'
2025-08-31T09:30:32,109   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,110   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz'
2025-08-31T09:30:32,112   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz'
2025-08-31T09:30:32,113   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz'
2025-08-31T09:30:32,115   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz'
2025-08-31T09:30:32,116   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz'
2025-08-31T09:30:32,117   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz'
2025-08-31T09:30:32,119   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,120   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz'
2025-08-31T09:30:32,122   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz'
2025-08-31T09:30:32,123   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz'
2025-08-31T09:30:32,125   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz'
2025-08-31T09:30:32,126   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz'
2025-08-31T09:30:32,128   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,129   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz'
2025-08-31T09:30:32,130   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz'
2025-08-31T09:30:32,132   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,133   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,135   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz'
2025-08-31T09:30:32,136   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,138   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,139   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,141   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,142   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz'
2025-08-31T09:30:32,143   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz'
2025-08-31T09:30:32,144   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz'
2025-08-31T09:30:32,145   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz'
2025-08-31T09:30:32,147   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz'
2025-08-31T09:30:32,148   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,149   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz'
2025-08-31T09:30:32,150   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,152   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,153   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,154   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,155   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,157   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,158   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,159   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,160   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,162   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,163   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,164   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,165   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,167   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,168   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,169   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,171   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,172   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,173   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,175   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,176   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,177   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,178   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,180   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,181   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,182   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,184   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz'
2025-08-31T09:30:32,185   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz'
2025-08-31T09:30:32,186   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz'
2025-08-31T09:30:32,188   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz'
2025-08-31T09:30:32,189   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,190   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,191   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz'
2025-08-31T09:30:32,193   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz'
2025-08-31T09:30:32,194   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz'
2025-08-31T09:30:32,195   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,196   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz'
2025-08-31T09:30:32,198   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz'
2025-08-31T09:30:32,199   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz'
2025-08-31T09:30:32,200   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz'
2025-08-31T09:30:32,201   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz'
2025-08-31T09:30:32,203   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz'
2025-08-31T09:30:32,204   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,205   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,207   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz'
2025-08-31T09:30:32,208   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz'
2025-08-31T09:30:32,209   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz'
2025-08-31T09:30:32,211   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz'
2025-08-31T09:30:32,212   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz'
2025-08-31T09:30:32,213   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,214   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz'
2025-08-31T09:30:32,216   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz'
2025-08-31T09:30:32,217   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,218   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,220   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz'
2025-08-31T09:30:32,221   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,222   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,224   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,225   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,226   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz'
2025-08-31T09:30:32,228   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz'
2025-08-31T09:30:32,229   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz'
2025-08-31T09:30:32,230   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz'
2025-08-31T09:30:32,231   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz'
2025-08-31T09:30:32,233   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,234   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz'
2025-08-31T09:30:32,235   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,237   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,238   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,239   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,241   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,242   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,243   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,244   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,246   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,247   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,248   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,249   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,250   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,252   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,253   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,254   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,256   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,257   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,258   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,259   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,261   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,262   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,263   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,265   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,266   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,267   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,268   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,270   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,271   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,272   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,273   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,275   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,276   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,277   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,279   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,280   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,281   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,283   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,284   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,285   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,287   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,288   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,289   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,291   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,292   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,293   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,294   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,296   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,297   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,298   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,299   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,301   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,302   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,303   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,305   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,306   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,307   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,309   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,310   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,311   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,312   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,314   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,315   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,317   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,318   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,319   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,321   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,322   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,323   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,325   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,326   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,327   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,329   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,330   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,331   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,333   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,334   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,335   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,337   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,338   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,339   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,341   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,342   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,344   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,345   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,346   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,347   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,349   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,350   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,351   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,353   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,354   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,355   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,357   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,358   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,359   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,360   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,362   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,363   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,364   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,366   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,367   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,368   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,369   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,371   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,372   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,373   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,375   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,376   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,378   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,379   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,380   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,382   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,383   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,384   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,386   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,387   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,388   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,390   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,391   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,392   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,394   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,395   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,396   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,398   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,399   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,400   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,401   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,403   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,404   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,405   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,407   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,408   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,409   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,411   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,412   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,413   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,415   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,416   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,417   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,418   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,420   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,421   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,422   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,424   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,425   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,426   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,428   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,429   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,430   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,432   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz'
2025-08-31T09:30:32,433   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz'
2025-08-31T09:30:32,434   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,436   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz'
2025-08-31T09:30:32,437   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz'
2025-08-31T09:30:32,438   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz'
2025-08-31T09:30:32,440   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz'
2025-08-31T09:30:32,441   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz'
2025-08-31T09:30:32,442   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz'
2025-08-31T09:30:32,444   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz'
2025-08-31T09:30:32,445   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,447   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,448   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,449   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,450   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,452   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,453   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,454   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,455   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,457   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,458   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,459   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,461   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,462   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,463   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,464   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,466   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,467   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,469   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,470   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,471   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,473   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,474   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,475   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,477   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,478   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,479   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,480   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,482   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,483   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,484   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,486   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,487   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,488   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz'
2025-08-31T09:30:32,490   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz'
2025-08-31T09:30:32,491   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz'
2025-08-31T09:30:32,492   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,494   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz'
2025-08-31T09:30:32,495   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz'
2025-08-31T09:30:32,497   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz'
2025-08-31T09:30:32,498   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz'
2025-08-31T09:30:32,499   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz'
2025-08-31T09:30:32,501   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz'
2025-08-31T09:30:32,502   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz'
2025-08-31T09:30:32,503   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz'
2025-08-31T09:30:32,504   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz'
2025-08-31T09:30:32,506   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz'
2025-08-31T09:30:32,507   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,508   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz'
2025-08-31T09:30:32,509   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz'
2025-08-31T09:30:32,511   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz'
2025-08-31T09:30:32,512   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz'
2025-08-31T09:30:32,513   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz'
2025-08-31T09:30:32,514   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz'
2025-08-31T09:30:32,516   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz'
2025-08-31T09:30:32,517   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz'
2025-08-31T09:30:32,518   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz'
2025-08-31T09:30:32,520   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz'
2025-08-31T09:30:32,521   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,522   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz'
2025-08-31T09:30:32,523   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz'
2025-08-31T09:30:32,525   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz'
2025-08-31T09:30:32,526   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz'
2025-08-31T09:30:32,527   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,529   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,530   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,531   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,533   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,534   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,535   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,537   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,538   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,539   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,541   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,542   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,544   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,545   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,546   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,548   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,549   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,550   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,551   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,553   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,554   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,555   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,556   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,558   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,559   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,560   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,562   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,563   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,564   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,566   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,567   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,568   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,569   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,571   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz'
2025-08-31T09:30:32,572   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz'
2025-08-31T09:30:32,573   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz'
2025-08-31T09:30:32,574   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz'
2025-08-31T09:30:32,576   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,577   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,578   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,580   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,581   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,582   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,583   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,585   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,586   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,587   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,588   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,590   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,591   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,592   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,594   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,595   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,596   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,598   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,599   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,600   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,601   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz'
2025-08-31T09:30:32,602   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz'
2025-08-31T09:30:32,604   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz'
2025-08-31T09:30:32,605   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz'
2025-08-31T09:30:32,606   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,607   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,609   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz'
2025-08-31T09:30:32,610   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,611   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,612   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,614   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,615   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,616   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,617   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,619   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,620   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz'
2025-08-31T09:30:32,621   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,622   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,624   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,625   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,626   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,628   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,629   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,630   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,632   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,633   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,634   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,635   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,637   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,638   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz'
2025-08-31T09:30:32,640   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz'
2025-08-31T09:30:32,641   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz'
2025-08-31T09:30:32,642   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz'
2025-08-31T09:30:32,644   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,645   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz'
2025-08-31T09:30:32,647   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz'
2025-08-31T09:30:32,648   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz'
2025-08-31T09:30:32,649   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz'
2025-08-31T09:30:32,651   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,652   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz'
2025-08-31T09:30:32,653   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz'
2025-08-31T09:30:32,654   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz'
2025-08-31T09:30:32,656   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz'
2025-08-31T09:30:32,657   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz'
2025-08-31T09:30:32,658   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz'
2025-08-31T09:30:32,660   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,661   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz'
2025-08-31T09:30:32,662   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz'
2025-08-31T09:30:32,664   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz'
2025-08-31T09:30:32,665   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz'
2025-08-31T09:30:32,666   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz'
2025-08-31T09:30:32,667   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz'
2025-08-31T09:30:32,669   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz'
2025-08-31T09:30:32,670   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz'
2025-08-31T09:30:32,671   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz'
2025-08-31T09:30:32,673   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz'
2025-08-31T09:30:32,674   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz'
2025-08-31T09:30:32,676   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,677   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,678   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz'
2025-08-31T09:30:32,680   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,681   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,682   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,684   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,685   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,686   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,688   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,689   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,690   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,692   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,693   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz'
2025-08-31T09:30:32,694   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,696   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,697   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,698   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz'
2025-08-31T09:30:32,700   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz'
2025-08-31T09:30:32,701   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,702   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,704   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,705   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,706   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,707   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz'
2025-08-31T09:30:32,709   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,710   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,711   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,712   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,714   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,715   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,716   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,717   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz'
2025-08-31T09:30:32,719   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz'
2025-08-31T09:30:32,720   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz'
2025-08-31T09:30:32,721   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz'
2025-08-31T09:30:32,722   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz'
2025-08-31T09:30:32,724   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz'
2025-08-31T09:30:32,725   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz'
2025-08-31T09:30:32,726   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz'
2025-08-31T09:30:32,728   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz'
2025-08-31T09:30:32,729   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz'
2025-08-31T09:30:32,730   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz'
2025-08-31T09:30:32,732   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz'
2025-08-31T09:30:32,733   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz'
2025-08-31T09:30:32,734   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz'
2025-08-31T09:30:32,736   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz'
2025-08-31T09:30:32,737   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz'
2025-08-31T09:30:32,738   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz'
2025-08-31T09:30:32,740   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz'
2025-08-31T09:30:32,741   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz'
2025-08-31T09:30:32,742   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz'
2025-08-31T09:30:32,743   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz'
2025-08-31T09:30:32,745   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz'
2025-08-31T09:30:32,746   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz'
2025-08-31T09:30:32,747   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz'
2025-08-31T09:30:32,749   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz'
2025-08-31T09:30:32,750   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz'
2025-08-31T09:30:32,751   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz'
2025-08-31T09:30:32,753   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz'
2025-08-31T09:30:32,754   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz'
2025-08-31T09:30:32,755   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz'
2025-08-31T09:30:32,756   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz'
2025-08-31T09:30:32,758   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz'
2025-08-31T09:30:32,759   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz'
2025-08-31T09:30:32,760   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz'
2025-08-31T09:30:32,761   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz'
2025-08-31T09:30:32,763   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz'
2025-08-31T09:30:32,764   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz'
2025-08-31T09:30:32,765   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz'
2025-08-31T09:30:32,766   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,768   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz'
2025-08-31T09:30:32,769   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz'
2025-08-31T09:30:32,770   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz'
2025-08-31T09:30:32,771   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz'
2025-08-31T09:30:32,773   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz'
2025-08-31T09:30:32,774   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz'
2025-08-31T09:30:32,775   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz'
2025-08-31T09:30:32,777   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz'
2025-08-31T09:30:32,778   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz'
2025-08-31T09:30:32,779   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz'
2025-08-31T09:30:32,780   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz'
2025-08-31T09:30:32,782   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz'
2025-08-31T09:30:32,784   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz'
2025-08-31T09:30:32,785   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz'
2025-08-31T09:30:32,786   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz'
2025-08-31T09:30:32,787   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz'
2025-08-31T09:30:32,788   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz'
2025-08-31T09:30:32,790   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz'
2025-08-31T09:30:32,791   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz'
2025-08-31T09:30:32,792   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz'
2025-08-31T09:30:32,803   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz'
2025-08-31T09:30:32,804   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz'
2025-08-31T09:30:32,805   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz'
2025-08-31T09:30:32,807   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz'
2025-08-31T09:30:32,808   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz'
2025-08-31T09:30:32,809   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz'
2025-08-31T09:30:32,810   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz'
2025-08-31T09:30:32,812   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz'
2025-08-31T09:30:32,813   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz'
2025-08-31T09:30:32,814   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz'
2025-08-31T09:30:32,815   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz'
2025-08-31T09:30:32,816   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz'
2025-08-31T09:30:32,818   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz'
2025-08-31T09:30:32,819   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz'
2025-08-31T09:30:32,820   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz'
2025-08-31T09:30:32,821   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz'
2025-08-31T09:30:32,822   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz'
2025-08-31T09:30:32,824   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz'
2025-08-31T09:30:32,825   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz'
2025-08-31T09:30:32,826   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz'
2025-08-31T09:30:32,827   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz'
2025-08-31T09:30:32,828   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:32,829   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:32,831   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:32,832   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:32,833   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:32,834   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:32,835   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:32,837   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:32,838   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:32,839   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:32,840   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:32,841   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:32,843   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:32,844   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:32,845   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:30:32,846   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:30:32,847   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:30:32,849   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:30:32,850   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:30:32,851   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:30:32,852   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:30:32,854   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:32,855   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:32,856   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:32,857   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:32,859   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:32,860   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:32,861   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:32,863   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:32,864   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:32,865   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:32,866   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:32,868   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:32,869   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:32,870   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:32,871   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:30:32,872   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:30:32,874   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:30:32,875   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:30:32,876   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:30:32,877   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:30:32,878   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:30:32,880   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:32,881   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:32,882   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:32,883   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:32,885   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:32,886   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:32,887   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:32,889   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:32,890   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:32,891   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:32,892   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:32,893   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:32,895   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:32,896   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:32,897   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:30:32,899   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:30:32,900   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:30:32,901   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:30:32,902   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:30:32,903   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:30:32,905   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:30:32,906   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:32,907   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:32,908   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:32,910   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:32,911   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:32,912   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:32,914   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:32,915   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:32,916   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:32,917   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:32,918   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:32,920   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:32,921   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:32,922   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:32,923   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:30:32,925   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:30:32,926   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:30:32,927   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:30:32,928   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:30:32,929   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:30:32,931   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz'
2025-08-31T09:30:32,932   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,933   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,934   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,935   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,936   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,938   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,939   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,940   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,941   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,943   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,944   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,945   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,946   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,947   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,949   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,950   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,951   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,953   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,954   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,955   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,957   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,958   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,959   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,960   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,962   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,963   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,964   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,965   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,966   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,968   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,969   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,970   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,971   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,973   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,974   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,975   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:32,977   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:32,978   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:32,979   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:30:32,980   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:30:32,981   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:30:32,982   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:30:32,984   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:32,985   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:32,986   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:32,988   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:32,989   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:32,990   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:32,991   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:32,992   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:32,994   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:32,995   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:32,996   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:32,998   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:32,999   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:33,000   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:33,002   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:30:33,003   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:30:33,004   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:30:33,006   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:30:33,007   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:30:33,008   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:30:33,009   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:30:33,011   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,012   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,013   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,015   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,016   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,017   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,018   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,020   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,021   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,022   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,024   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,025   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,026   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,027   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,029   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,030   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,031   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,033   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,034   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,035   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,036   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,038   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,039   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,041   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,042   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:33,044   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:33,045   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:33,047   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:33,048   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,049   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,051   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,052   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:33,054   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:33,055   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:33,056   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:33,058   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,059   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,060   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,061   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:30:33,062   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:30:33,064   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:30:33,065   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz'
2025-08-31T09:30:33,066   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,067   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,069   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,070   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:33,071   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:33,072   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:33,074   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:33,075   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,076   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,077   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,079   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:33,080   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:33,081   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:33,082   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:33,084   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,085   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,086   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,088   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:30:33,089   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:30:33,090   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:30:33,092   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz'
2025-08-31T09:30:33,093   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,095   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,096   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,097   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:33,098   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:33,100   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:33,101   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:33,102   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,104   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,105   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,107   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:33,108   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:33,109   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:33,110   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:33,111   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:30:33,113   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:30:33,114   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:30:33,115   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:30:33,116   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:30:33,118   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:30:33,119   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz'
2025-08-31T09:30:33,120   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,121   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,123   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,124   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:30:33,125   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:30:33,126   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:30:33,128   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz'
2025-08-31T09:30:33,129   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,130   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,131   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,133   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:30:33,134   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:30:33,135   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:30:33,136   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz'
2025-08-31T09:30:33,138   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,139   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,140   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,141   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:30:33,143   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:30:33,144   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:30:33,145   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz'
2025-08-31T09:30:33,146   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,148   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,149   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,150   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,152   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,153   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,154   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,156   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,157   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,158   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,160   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,161   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,162   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,163   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,165   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:30:33,166   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:30:33,167   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:30:33,168   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:30:33,170   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:30:33,171   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:30:33,172   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:30:33,173   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,175   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,176   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,177   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:33,178   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:33,180   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:33,181   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:33,182   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,183   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,185   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,186   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:33,187   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:33,188   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:33,190   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:33,191   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:30:33,192   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:30:33,194   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:30:33,195   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:30:33,196   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:30:33,197   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:30:33,199   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:30:33,200   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:33,201   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:33,202   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:33,204   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:33,205   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:33,206   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:33,207   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:33,209   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:33,210   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:33,211   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:33,212   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:33,214   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:33,215   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:33,216   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:33,217   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:30:33,219   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:30:33,220   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:30:33,221   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:30:33,222   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:30:33,223   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:30:33,225   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:30:33,226   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,227   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,229   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,230   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:33,231   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:33,232   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:33,234   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:33,235   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,236   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,238   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,239   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:33,240   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:33,241   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:33,243   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:33,244   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,245   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,247   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,248   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:30:33,249   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:30:33,251   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:30:33,252   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:30:33,253   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:33,255   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:33,256   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:33,257   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:33,258   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:33,259   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:33,261   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:33,262   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:33,263   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:33,265   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:33,266   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:33,267   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:33,268   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:33,270   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:33,271   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:30:33,272   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:30:33,273   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:30:33,275   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:30:33,276   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:30:33,277   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:30:33,278   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:30:33,280   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:33,281   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:33,282   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:33,284   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:30:33,285   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:30:33,286   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:30:33,287   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz'
2025-08-31T09:30:33,289   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:33,290   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:33,291   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:33,293   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:30:33,294   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:30:33,295   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:30:33,297   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz'
2025-08-31T09:30:33,298   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz'
2025-08-31T09:30:33,299   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz'
2025-08-31T09:30:33,301   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz'
2025-08-31T09:30:33,302   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:30:33,303   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:30:33,304   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:30:33,306   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz'
2025-08-31T09:30:33,307   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:33,308   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:33,309   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:33,311   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:33,312   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:33,313   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:33,314   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:33,316   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:33,317   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:33,318   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:33,319   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:33,321   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:33,322   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:33,323   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:33,324   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:30:33,326   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:30:33,327   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:30:33,328   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:30:33,329   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:30:33,330   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:30:33,332   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:30:33,333   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,334   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,336   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,337   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:33,338   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:33,339   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:33,341   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:33,342   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,343   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,345   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,346   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:33,347   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:33,349   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:33,350   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:33,351   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:30:33,353   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:30:33,354   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:30:33,355   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:30:33,356   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:30:33,357   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:30:33,359   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:30:33,360   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:33,361   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:33,362   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:33,364   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:30:33,365   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:30:33,366   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:30:33,368   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz'
2025-08-31T09:30:33,369   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:33,370   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:33,371   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:33,373   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:30:33,374   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:30:33,375   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:30:33,376   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz'
2025-08-31T09:30:33,378   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz'
2025-08-31T09:30:33,379   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz'
2025-08-31T09:30:33,380   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz'
2025-08-31T09:30:33,381   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:30:33,383   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:30:33,384   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:30:33,385   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz'
2025-08-31T09:30:33,387   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:33,388   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:33,389   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:33,390   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:33,392   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:33,393   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:33,394   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:33,395   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:33,397   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:33,398   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:33,399   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:33,401   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:33,402   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:33,403   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:33,404   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:30:33,406   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:30:33,407   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:30:33,408   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:30:33,409   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:30:33,410   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:30:33,412   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:30:33,415   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat'
2025-08-31T09:30:33,418   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat'
2025-08-31T09:30:33,420   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat'
2025-08-31T09:30:33,423   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat'
2025-08-31T09:30:33,425   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat'
2025-08-31T09:30:33,426   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat'
2025-08-31T09:30:33,427   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat'
2025-08-31T09:30:33,429   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat'
2025-08-31T09:30:33,430   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat'
2025-08-31T09:30:33,431   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat'
2025-08-31T09:30:33,432   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat'
2025-08-31T09:30:33,434   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat'
2025-08-31T09:30:33,435   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat'
2025-08-31T09:30:33,437   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat'
2025-08-31T09:30:33,438   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat'
2025-08-31T09:30:33,440   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat'
2025-08-31T09:30:33,441   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat'
2025-08-31T09:30:33,444   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat'
2025-08-31T09:30:33,445   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat'
2025-08-31T09:30:33,447   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat'
2025-08-31T09:30:33,448   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat'
2025-08-31T09:30:33,449   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat'
2025-08-31T09:30:33,451   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat'
2025-08-31T09:30:33,452   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat'
2025-08-31T09:30:33,453   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat'
2025-08-31T09:30:33,455   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat'
2025-08-31T09:30:33,456   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat'
2025-08-31T09:30:33,457   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat'
2025-08-31T09:30:33,459   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat'
2025-08-31T09:30:33,460   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat'
2025-08-31T09:30:33,461   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat'
2025-08-31T09:30:33,463   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat'
2025-08-31T09:30:33,464   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat'
2025-08-31T09:30:33,466   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat'
2025-08-31T09:30:33,467   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat'
2025-08-31T09:30:33,469   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat'
2025-08-31T09:30:33,470   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat'
2025-08-31T09:30:33,471   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat'
2025-08-31T09:30:33,479   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat'
2025-08-31T09:30:33,480   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat'
2025-08-31T09:30:33,482   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat'
2025-08-31T09:30:33,483   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat'
2025-08-31T09:30:33,484   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat'
2025-08-31T09:30:33,486   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat'
2025-08-31T09:30:33,487   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat'
2025-08-31T09:30:33,488   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat'
2025-08-31T09:30:33,489   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat'
2025-08-31T09:30:33,491   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat'
2025-08-31T09:30:33,492   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat'
2025-08-31T09:30:33,494   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat'
2025-08-31T09:30:33,495   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat'
2025-08-31T09:30:33,498   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat'
2025-08-31T09:30:33,499   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat'
2025-08-31T09:30:33,500   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat'
2025-08-31T09:30:33,501   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat'
2025-08-31T09:30:33,503   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat'
2025-08-31T09:30:33,504   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat'
2025-08-31T09:30:33,505   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat'
2025-08-31T09:30:33,506   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat'
2025-08-31T09:30:33,507   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat'
2025-08-31T09:30:33,512   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat'
2025-08-31T09:30:33,514   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat'
2025-08-31T09:30:33,520   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat'
2025-08-31T09:30:33,522   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat'
2025-08-31T09:30:33,524   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat'
2025-08-31T09:30:33,525   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat'
2025-08-31T09:30:33,526   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat'
2025-08-31T09:30:33,527   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat'
2025-08-31T09:30:33,529   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat'
2025-08-31T09:30:33,530   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat'
2025-08-31T09:30:33,532   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat'
2025-08-31T09:30:33,533   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat'
2025-08-31T09:30:33,535   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat'
2025-08-31T09:30:33,536   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat'
2025-08-31T09:30:33,537   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat'
2025-08-31T09:30:33,539   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat'
2025-08-31T09:30:33,540   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat'
2025-08-31T09:30:33,545   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat'
2025-08-31T09:30:33,549   adding 'xcbm-0.1.4.dist-info/licenses/LICENSE'
2025-08-31T09:30:33,550   adding 'xcbm-0.1.4.dist-info/METADATA'
2025-08-31T09:30:33,551   adding 'xcbm-0.1.4.dist-info/WHEEL'
2025-08-31T09:30:33,552   adding 'xcbm-0.1.4.dist-info/top_level.txt'
2025-08-31T09:30:33,949   adding 'xcbm-0.1.4.dist-info/RECORD'
2025-08-31T09:30:34,182   removing build/bdist.linux-armv7l/wheel
2025-08-31T09:30:44,546   Building wheel for xcbm (pyproject.toml): finished with status 'done'
2025-08-31T09:30:44,746   Created wheel for xcbm: filename=xcbm-0.1.4-py3-none-any.whl size=8689205 sha256=29a2d4272dac367328025be7a06119ff363bfe86dd1cdb3b7e84592c24e2a991
2025-08-31T09:30:44,747   Stored in directory: /tmp/pip-ephem-wheel-cache-9il4vm1m/wheels/73/9e/2a/f4900af382326d71ba8aeff00ac389e17864d3c90f9a35b0b9
2025-08-31T09:30:45,297 Successfully built xcbm
2025-08-31T09:30:45,485 Removed build tracker: '/tmp/pip-build-tracker-yl27qnxx'